 Entering Gaussian System, Link 0=g16
 Input=36c_RhEn3-lelob2_STD_B3LYPDBJ-def2TZVPDr.in
 Output=36c_RhEn3-lelob2_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/36c_RhEn3-lelob2_STD/Gau-203554.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/36c_RhEn3-lelob2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    203555.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=36c_RhEn3-lelob2_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:34:31 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36c_RhEn3-lelob2_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.882333000000      0.078868000000     -0.751096000000
  C                                                -2.883637000000     -0.089617000000      0.748561000000
  N                                                -1.604578000000     -0.773888000000      1.152492000000
  Rh                                                0.000181000000      0.000116000000      0.000562000000
  N                                                 1.496894000000      0.977942000000     -1.143379000000
  C                                                 2.016113000000      2.164980000000     -0.376616000000
  C                                                 0.851421000000      2.839270000000      0.306893000000
  N                                                 0.108865000000      1.805044000000      1.109170000000
  N                                                -1.605762000000      0.769395000000     -1.151895000000
  N                                                 1.498354000000     -0.974746000000      1.144883000000
  C                                                 2.023540000000     -2.157905000000      0.376178000000
  C                                                 0.862316000000     -2.836237000000     -0.309308000000
  N                                                 0.114723000000     -1.803750000000     -1.109148000000
  H                                                 2.746689000000      1.805009000000      0.348651000000
  H                                                 2.534073000000      2.852953000000     -1.045694000000
  H                                                 0.159478000000      3.264331000000     -0.421261000000
  H                                                 1.187267000000      3.652750000000      0.950911000000
  H                                                 0.172399000000     -3.266690000000      0.417566000000
  H                                                 1.202417000000     -3.646338000000     -0.955343000000
  H                                                 2.752960000000     -1.793209000000     -0.347870000000
  H                                                 2.544317000000     -2.844721000000      1.044258000000
  H                                                 2.285191000000     -0.385753000000      1.415804000000
  H                                                 1.112276000000     -1.308266000000      2.028366000000
  H                                                -0.783947000000     -2.191995000000     -1.394149000000
  H                                                 0.611614000000     -1.648380000000     -1.986518000000
  H                                                -1.721936000000      1.772878000000     -1.012515000000
  H                                                -1.479542000000      0.662744000000     -2.158404000000
  H                                                -0.791007000000      2.190068000000      1.394742000000
  H                                                 0.607425000000      1.652565000000      1.986087000000
  H                                                 2.286557000000      0.391334000000     -1.411120000000
  H                                                 1.111518000000      1.307831000000     -2.028554000000
  H                                                -2.916638000000     -0.885119000000     -1.259574000000
  H                                                -3.746888000000      0.653215000000     -1.085607000000
  H                                                -3.746060000000     -0.668259000000      1.081160000000
  H                                                -2.923915000000      0.874214000000      1.256925000000
  H                                                -1.480078000000     -0.664291000000      2.158900000000
  H                                                -1.716296000000     -1.778222000000      1.015422000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 20:34:31 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078868   -0.751096
      2          6           0       -2.883637   -0.089617    0.748561
      3          7           0       -1.604578   -0.773888    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496894    0.977942   -1.143379
      6          6           0        2.016113    2.164980   -0.376616
      7          6           0        0.851421    2.839270    0.306893
      8          7           0        0.108865    1.805044    1.109170
      9          7           0       -1.605762    0.769395   -1.151895
     10          7           0        1.498354   -0.974746    1.144883
     11          6           0        2.023540   -2.157905    0.376178
     12          6           0        0.862316   -2.836237   -0.309308
     13          7           0        0.114723   -1.803750   -1.109148
     14          1           0        2.746689    1.805009    0.348651
     15          1           0        2.534073    2.852953   -1.045694
     16          1           0        0.159478    3.264331   -0.421261
     17          1           0        1.187267    3.652750    0.950911
     18          1           0        0.172399   -3.266690    0.417566
     19          1           0        1.202417   -3.646338   -0.955343
     20          1           0        2.752960   -1.793209   -0.347870
     21          1           0        2.544317   -2.844721    1.044258
     22          1           0        2.285191   -0.385753    1.415804
     23          1           0        1.112276   -1.308266    2.028366
     24          1           0       -0.783947   -2.191995   -1.394149
     25          1           0        0.611614   -1.648380   -1.986518
     26          1           0       -1.721936    1.772878   -1.012515
     27          1           0       -1.479542    0.662744   -2.158404
     28          1           0       -0.791007    2.190068    1.394742
     29          1           0        0.607425    1.652565    1.986087
     30          1           0        2.286557    0.391334   -1.411120
     31          1           0        1.111518    1.307831   -2.028554
     32          1           0       -2.916638   -0.885119   -1.259574
     33          1           0       -3.746888    0.653215   -1.085607
     34          1           0       -3.746060   -0.668259    1.081160
     35          1           0       -2.923915    0.874214    1.256925
     36          1           0       -1.480078   -0.664291    2.158900
     37          1           0       -1.716296   -1.778222    1.015422
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509092   0.000000
     3  N    2.446119   1.505782   0.000000
     4  Rh   2.979946   2.980597   2.121621   0.000000
     5  N    4.487744   4.889598   4.237813   2.122474   0.000000
     6  C    5.337309   5.509699   4.907598   2.982093   1.505514
     7  C    4.762361   4.766981   4.449930   2.979806   2.446317
     8  N    3.922695   3.560175   3.096555   2.120988   2.772129
     9  N    1.505690   2.445935   2.773432   2.121085   3.109669
    10  N    4.888278   4.488025   3.109435   2.122345   3.008178
    11  C    5.508311   5.338246   3.959976   2.981966   3.524194
    12  C    4.766069   4.763945   3.532097   2.980637   3.955544
    13  N    3.557358   3.921670   3.021858   2.120969   3.106345
    14  H    5.989566   5.953999   5.121562   3.304862   2.114753
    15  H    6.092601   6.421032   5.925743   3.956506   2.144982
    16  H    4.416852   4.677392   4.679295   3.295210   2.745489
    17  H    5.677244   5.533400   5.237381   3.956523   3.411234
    18  H    4.678666   4.420713   3.148305   3.297813   4.712509
    19  H    5.532094   5.678855   4.535764   3.956735   4.637460
    20  H    5.951789   5.989625   4.719983   3.303818   3.144808
    21  H    6.420218   6.094319   4.638253   3.956643   4.527207
    22  H    5.622689   5.220124   3.917944   2.715341   3.005078
    23  H    5.060282   4.369248   2.904137   2.657180   3.928695
    24  H    3.158094   3.663318   3.028175   2.713932   3.913262
    25  H    4.088682   4.703954   3.940765   2.653277   2.896924
    26  H    2.069911   2.814218   3.344704   2.671085   3.318119
    27  H    2.071050   3.314812   3.611312   2.699961   3.160506
    28  H    3.665437   3.161268   3.083118   2.713965   3.625714
    29  H    4.706071   4.093187   3.387553   2.653609   3.322624
    30  H    5.220219   5.623739   4.803205   2.715403   1.019491
    31  H    4.369565   5.062262   4.672236   2.657536   1.020233
    32  H    1.090412   2.160213   2.748079   3.298396   4.792052
    33  H    1.090517   2.158975   3.411041   3.955607   5.254145
    34  H    2.159024   1.090515   2.145272   3.955849   5.928500
    35  H    2.160197   1.090425   2.113716   3.300429   5.031478
    36  H    3.314616   2.071059   1.019985   2.700190   4.739656
    37  H    2.815850   2.070093   1.019782   2.671838   4.751995
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509423   0.000000
     8  N    2.444322   1.504879   0.000000
     9  N    3.958117   3.528483   3.020750   0.000000
    10  N    3.527168   3.958215   3.107923   4.237069   0.000000
    11  C    4.387948   5.133266   4.461863   4.906722   1.505521
    12  C    5.133025   5.708870   4.911340   4.449938   2.446296
    13  N    4.461245   4.909738   4.236079   3.095637   2.771703
    14  H    1.090565   2.159509   2.745269   4.718894   3.149502
    15  H    1.090530   2.158934   3.409279   4.635809   4.530190
    16  H    2.158161   1.090720   2.115254   3.142388   4.713297
    17  H    2.159346   1.090551   2.145231   4.531726   4.641995
    18  H    5.790772   6.144597   5.119066   4.681351   2.745934
    19  H    5.896477   6.616612   5.930905   5.236717   3.411148
    20  H    4.026292   5.050191   4.696981   5.119751   2.114765
    21  H    5.234022   5.976400   5.249377   5.925207   2.144987
    22  H    3.129123   3.699480   3.103226   4.802808   1.019521
    23  H    4.320220   4.498174   3.397713   4.671024   1.020213
    24  H    5.278157   5.557122   4.800004   3.082839   3.624538
    25  H    4.371054   5.045418   4.664995   3.385113   3.323517
    26  H    3.811971   3.082239   2.802573   1.019756   4.751218
    27  H    4.201319   4.030923   3.808533   1.019983   4.739298
    28  H    3.319377   2.074234   1.019590   3.027788   3.914033
    29  H    2.798095   2.070627   1.020194   3.940193   2.898990
    30  H    2.071028   3.317164   3.618395   3.919219   3.003430
    31  H    2.069274   2.804865   3.331343   2.905521   3.928168
    32  H    5.866409   5.524777   4.690586   2.113624   5.028081
    33  H    6.000024   5.278479   4.583731   2.145300   5.927724
    34  H    6.584451   5.834302   4.580225   3.410903   5.253748
    35  H    5.360822   4.360868   3.175851   2.747895   4.794546
    36  H    5.163039   4.597908   3.118379   3.610071   3.161593
    37  H    5.605131   5.330705   4.022412   3.346615   3.316068
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509459   0.000000
    13  N    2.444423   1.504882   0.000000
    14  H    4.028448   5.052221   4.698464   0.000000
    15  H    5.233647   5.975276   5.248063   1.757154   0.000000
    16  H    5.788893   6.141941   5.114747   3.068558   2.489548
    17  H    5.898592   6.618210   5.930226   2.491718   2.537714
    18  H    2.158203   1.090698   2.115272   5.688044   6.720764
    19  H    2.159311   1.090547   2.145196   5.813980   6.634927
    20  H    1.090551   2.159613   2.745897   3.665018   4.703370
    21  H    1.090530   2.159014   3.409356   4.705828   6.068896
    22  H    2.071185   3.317447   3.618982   2.480168   4.075553
    23  H    2.069303   2.803907   3.329356   3.896823   5.365361
    24  H    3.319217   2.074153   1.019592   5.610596   6.048320
    25  H    2.799193   2.070480   1.020205   4.683744   4.984275
    26  H    5.604294   5.330741   4.021806   4.671447   4.391045
    27  H    5.162533   4.598513   3.118687   5.044911   4.705767
    28  H    5.278638   5.558867   4.800041   3.709160   4.177475
    29  H    4.372284   5.048084   4.665763   2.698312   3.787427
    30  H    3.124457   3.695899   3.102651   2.303691   2.500874
    31  H    4.315767   4.493463   3.394237   2.927810   2.318853
    32  H    5.357334   4.357793   3.171066   6.472747   6.612804
    33  H    6.583088   5.832982   4.577037   6.749094   6.655142
    34  H    6.000361   5.279267   4.581750   6.986373   7.507497
    35  H    5.869137   5.527755   4.690748   5.817825   6.245566
    36  H    4.205273   4.036856   3.810760   5.219196   6.225258
    37  H    3.813026   3.086024   2.804832   5.762149   6.615256
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757861   0.000000
    18  H    6.584682   7.013777   0.000000
    19  H    7.009302   7.543919   1.757825   0.000000
    20  H    5.684210   5.813493   3.068605   2.491444   0.000000
    21  H    6.719801   6.638330   2.489336   2.538048   1.757051
    22  H    4.606146   4.210828   3.709470   4.174464   2.304406
    23  H    5.274196   5.077225   2.704343   3.791731   2.928056
    24  H    5.622104   6.598942   2.313413   2.500661   3.709911
    25  H    5.175827   6.087844   2.931119   2.324695   2.700279
    26  H    2.472596   3.981510   5.570537   6.158166   5.760506
    27  H    3.531615   5.071474   4.980460   5.216172   5.217644
    28  H    2.314159   2.499999   5.626654   6.600021   5.609179
    29  H    2.931513   2.325628   5.181561   6.089696   4.682311
    30  H    3.709231   4.174262   4.603791   4.205459   2.473916
    31  H    2.705118   3.792307   5.271782   5.069895   3.890434
    32  H    5.232895   6.505424   4.245801   4.968249   5.813792
    33  H    4.745416   6.122949   5.743344   6.557343   6.984073
    34  H    5.742452   6.559405   4.748318   6.124028   6.748696
    35  H    4.246914   4.971491   5.238203   6.508159   6.474367
    36  H    4.977896   5.216398   3.540537   5.078080   5.047471
    37  H    5.568656   6.158758   2.477930   3.986560   4.672584
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.500343   0.000000
    23  H    2.319462   1.613069   0.000000
    24  H    4.177226   4.536293   4.011265   0.000000
    25  H    3.788427   3.996359   4.060250   1.610593   0.000000
    26  H    6.614639   5.158826   5.174279   4.092149   4.254309
    27  H    6.225014   5.295991   5.303908   3.036029   3.121502
    28  H    6.049490   4.012268   4.032655   5.194270   5.304144
    29  H    4.986399   2.700900   3.003861   5.304956   5.165060
    30  H    4.070304   2.931785   4.012186   4.012714   2.701287
    31  H    5.360856   4.013644   4.827273   4.030389   2.998475
    32  H    6.242572   5.870778   5.217447   2.504876   3.682333
    33  H    7.506740   6.612298   6.095548   4.119398   5.010541
    34  H    6.656365   6.047130   4.991016   4.150065   5.418543
    35  H    6.616439   5.361674   4.652868   4.583590   5.420643
    36  H    4.710887   3.847990   2.674330   3.929712   4.746377
    37  H    4.392161   4.255722   3.041009   2.616585   3.801009
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613758   0.000000
    28  H    2.614491   3.928313   0.000000
    29  H    3.798949   4.744679   1.610655   0.000000
    30  H    4.258587   3.849104   4.536486   3.993896   0.000000
    31  H    3.045828   2.673311   4.014586   4.060824   1.613043
    32  H    2.924602   2.295435   4.584809   5.421547   5.359621
    33  H    2.315042   2.508354   4.153466   5.421628   6.047892
    34  H    3.799961   4.171744   4.123191   5.015770   6.612614
    35  H    2.720792   3.714217   2.509933   3.688885   5.873726
    36  H    4.007014   4.516651   3.034159   3.123356   5.295935
    37  H    4.089361   4.010927   4.092355   4.255839   5.159255
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.650419   0.000000
    33  H    4.992172   1.756716   0.000000
    34  H    6.096828   2.492791   2.537947   0.000000
    35  H    5.221792   3.070517   2.492706   1.756712   0.000000
    36  H    5.304753   3.714624   4.171460   2.509226   2.294607
    37  H    5.175524   2.722877   3.801251   2.314364   2.924395
                   36         37
    36  H    0.000000
    37  H    1.613748   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.02D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078865   -0.751096
      2          6           0       -2.883637   -0.089620    0.748561
      3          7           0       -1.604577   -0.773890    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496893    0.977944   -1.143379
      6          6           0        2.016110    2.164982   -0.376616
      7          6           0        0.851418    2.839271    0.306893
      8          7           0        0.108863    1.805044    1.109170
      9          7           0       -1.605763    0.769393   -1.151895
     10          7           0        1.498355   -0.974744    1.144883
     11          6           0        2.023542   -2.157903    0.376178
     12          6           0        0.862319   -2.836236   -0.309308
     13          7           0        0.114725   -1.803750   -1.109148
     14          1           0        2.746687    1.805012    0.348651
     15          1           0        2.534070    2.852956   -1.045694
     16          1           0        0.159474    3.264331   -0.421261
     17          1           0        1.187263    3.652751    0.950911
     18          1           0        0.172403   -3.266690    0.417566
     19          1           0        1.202421   -3.646337   -0.955343
     20          1           0        2.752962   -1.793206   -0.347870
     21          1           0        2.544320   -2.844718    1.044258
     22          1           0        2.285191   -0.385750    1.415804
     23          1           0        1.112277   -1.308265    2.028366
     24          1           0       -0.783944   -2.191996   -1.394149
     25          1           0        0.611616   -1.648379   -1.986518
     26          1           0       -1.721938    1.772876   -1.012515
     27          1           0       -1.479543    0.662742   -2.158404
     28          1           0       -0.791010    2.190067    1.394742
     29          1           0        0.607423    1.652566    1.986087
     30          1           0        2.286556    0.391337   -1.411120
     31          1           0        1.111516    1.307832   -2.028554
     32          1           0       -2.916637   -0.885122   -1.259574
     33          1           0       -3.746889    0.653211   -1.085607
     34          1           0       -3.746059   -0.668263    1.081160
     35          1           0       -2.923916    0.874211    1.256925
     36          1           0       -1.480077   -0.664293    2.158900
     37          1           0       -1.716294   -1.778224    1.015422
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7085492           0.6964051           0.4626614
 Leave Link  202 at Thu Jul 22 20:34:31 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     12
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     13
 S 6 1.00
     Exponent=  1.9730800647D+04 Coefficients=  2.1887984991D-04
     Exponent=  2.9578958745D+03 Coefficients=  1.6960708803D-03
     Exponent=  6.7322133595D+02 Coefficients=  8.7954603538D-03
     Exponent=  1.9068249494D+02 Coefficients=  3.5359382605D-02
     Exponent=  6.2295441898D+01 Coefficients=  1.1095789217D-01
     Exponent=  2.2654161182D+01 Coefficients=  2.4982972552D-01
 S 2 1.00
     Exponent=  8.9791477428D+00 Coefficients=  4.0623896148D-01
     Exponent=  3.6863002370D+00 Coefficients=  2.4338217176D-01
 S 1 1.00
     Exponent=  8.4660076805D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.3647133771D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3647653675D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.8441605847D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.9200380510D+01 Coefficients=  5.5552416751D-03
     Exponent=  1.1346790537D+01 Coefficients=  3.8052379723D-02
     Exponent=  3.4273972411D+00 Coefficients=  1.4953671029D-01
     Exponent=  1.1785525134D+00 Coefficients=  3.4949305230D-01
 P 1 1.00
     Exponent=  4.1642204972D-01 Coefficients=  4.5843153697D-01
 P 1 1.00
     Exponent=  1.4260826011D-01 Coefficients=  2.4428771672D-01
 D 1 1.00
     Exponent=  1.6540000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.6900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2829642058D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0930000000D+00 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 2 1.00
     Exponent=  1.7000000000D+01 Coefficients= -1.6690803139D-01
     Exponent=  1.3910581694D+01 Coefficients=  3.4235001652D-01
 S 1 1.00
     Exponent=  5.2481265288D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.2262575928D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.3930216349D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0130730377D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7124139005D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.1767103631D+01 Coefficients=  5.9494859388D-02
     Exponent=  6.7485133083D+00 Coefficients= -2.3735853477D-01
     Exponent=  1.7502679834D+00 Coefficients=  4.9019334303D-01
     Exponent=  8.4321166133D-01 Coefficients=  5.0623933751D-01
 P 1 1.00
     Exponent=  3.8295544759D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1500000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.7000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  1.9857830136D+01 Coefficients=  6.6960778187D-03
     Exponent=  1.0061378139D+01 Coefficients= -2.1981738213D-02
     Exponent=  2.2619546477D+00 Coefficients=  3.7918706236D-01
     Exponent=  9.7098845035D-01 Coefficients=  6.7289976592D-01
 D 1 1.00
     Exponent=  3.8391195297D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.3537026904D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   778 symmetry adapted cartesian basis functions of A   symmetry.
 There are   700 symmetry adapted basis functions of A   symmetry.
   700 basis functions,  1034 primitive gaussians,   778 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.3219182307 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0807127395 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.2412054912 Hartrees.
 Leave Link  301 at Thu Jul 22 20:34:32 2021, MaxMem=  5637144576 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   40847 LenP2D=   80338.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   700 RedAO= T EigKep=  4.73D-06  NBF=   700
 NBsUse=   700 1.00D-06 EigRej= -1.00D+00 NBFU=   700
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   776   776   776   776   776 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Thu Jul 22 20:34:34 2021, MaxMem=  5637144576 cpu:              12.4 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:34:34 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36c_RhEn3-lelob2_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:34:36 2021, MaxMem=  5637144576 cpu:              10.5 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5635920659 LenY=  5635314597
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 930000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -681.635809535387    
 DIIS: error= 3.09D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -681.635809535387     IErMin= 1 ErrMin= 3.09D-03
 ErrMax= 3.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.73D-03 BMatP= 5.73D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.09D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.231 Goal=   None    Shift=    0.000
 GapD=    0.231 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.72D-03 MaxDP=2.78D-01              OVMax= 6.89D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.71D-03    CP:  1.03D+00
 E= -681.638482680728     Delta-E=       -0.002673145341 Rises=F Damp=F
 DIIS: error= 6.15D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -681.638482680728     IErMin= 2 ErrMin= 6.15D-05
 ErrMax= 6.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.18D-06 BMatP= 5.73D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.920D-02 0.101D+01
 Coeff:     -0.920D-02 0.101D+01
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=1.21D-04 MaxDP=1.24D-02 DE=-2.67D-03 OVMax= 1.37D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.84D-05    CP:  1.03D+00  1.03D+00
 E= -681.638475654207     Delta-E=        0.000007026521 Rises=F Damp=F
 DIIS: error= 1.12D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -681.638482680728     IErMin= 2 ErrMin= 6.15D-05
 ErrMax= 1.12D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-05 BMatP= 4.18D-06
 IDIUse=3 WtCom= 4.86D-01 WtEn= 5.14D-01
 Coeff-Com: -0.687D-02 0.699D+00 0.308D+00
 Coeff-En:   0.000D+00 0.701D+00 0.299D+00
 Coeff:     -0.334D-02 0.700D+00 0.303D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=7.84D-06 MaxDP=2.05D-03 DE= 7.03D-06 OVMax= 9.42D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.11D-06    CP:  1.03D+00  1.03D+00  9.96D-01
 E= -681.638487683913     Delta-E=       -0.000012029706 Rises=F Damp=F
 DIIS: error= 2.15D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -681.638487683913     IErMin= 4 ErrMin= 2.15D-05
 ErrMax= 2.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.91D-07 BMatP= 4.18D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.237D-02 0.228D+00 0.163D+00 0.612D+00
 Coeff:     -0.237D-02 0.228D+00 0.163D+00 0.612D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=3.00D-06 MaxDP=3.18D-04 DE=-1.20D-05 OVMax= 1.43D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.93D-06    CP:  1.03D+00  1.03D+00  1.02D+00  1.05D+00
 E= -681.638488008983     Delta-E=       -0.000000325070 Rises=F Damp=F
 DIIS: error= 7.64D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -681.638488008983     IErMin= 5 ErrMin= 7.64D-06
 ErrMax= 7.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-07 BMatP= 5.91D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.488D-03 0.405D-01 0.533D-01 0.336D+00 0.571D+00
 Coeff:     -0.488D-03 0.405D-01 0.533D-01 0.336D+00 0.571D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=8.15D-07 MaxDP=8.26D-05 DE=-3.25D-07 OVMax= 4.51D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.18D-07    CP:  1.03D+00  1.03D+00  1.03D+00  1.06D+00  9.28D-01
 E= -681.638488085582     Delta-E=       -0.000000076598 Rises=F Damp=F
 DIIS: error= 2.46D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -681.638488085582     IErMin= 6 ErrMin= 2.46D-06
 ErrMax= 2.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.33D-09 BMatP= 1.05D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.484D-04-0.819D-02 0.108D-01 0.925D-01 0.282D+00 0.623D+00
 Coeff:      0.484D-04-0.819D-02 0.108D-01 0.925D-01 0.282D+00 0.623D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=2.38D-07 MaxDP=1.91D-05 DE=-7.66D-08 OVMax= 1.17D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.30D-07    CP:  1.03D+00  1.03D+00  1.03D+00  1.06D+00  9.28D-01
                    CP:  9.22D-01
 E= -681.638488092619     Delta-E=       -0.000000007037 Rises=F Damp=F
 DIIS: error= 2.20D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -681.638488092619     IErMin= 7 ErrMin= 2.20D-07
 ErrMax= 2.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.96D-11 BMatP= 9.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.198D-04-0.288D-02 0.300D-02 0.221D-01 0.741D-01 0.192D+00
 Coeff-Com:  0.712D+00
 Coeff:      0.198D-04-0.288D-02 0.300D-02 0.221D-01 0.741D-01 0.192D+00
 Coeff:      0.712D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=3.41D-08 MaxDP=2.35D-06 DE=-7.04D-09 OVMax= 1.97D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.72D-08    CP:  1.03D+00  1.03D+00  1.03D+00  1.06D+00  9.27D-01
                    CP:  9.41D-01  9.97D-01
 E= -681.638488092710     Delta-E=       -0.000000000091 Rises=F Damp=F
 DIIS: error= 1.44D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -681.638488092710     IErMin= 8 ErrMin= 1.44D-07
 ErrMax= 1.44D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-11 BMatP= 7.96D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.718D-05-0.934D-03 0.732D-03 0.479D-02 0.182D-01 0.556D-01
 Coeff-Com:  0.396D+00 0.526D+00
 Coeff:      0.718D-05-0.934D-03 0.732D-03 0.479D-02 0.182D-01 0.556D-01
 Coeff:      0.396D+00 0.526D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=1.61D-08 MaxDP=7.81D-07 DE=-9.07D-11 OVMax= 1.21D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.17D-08    CP:  1.03D+00  1.03D+00  1.03D+00  1.06D+00  9.29D-01
                    CP:  9.39D-01  1.01D+00  6.27D-01
 E= -681.638488092711     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 4.31D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -681.638488092711     IErMin= 9 ErrMin= 4.31D-08
 ErrMax= 4.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-12 BMatP= 2.50D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.191D-05-0.218D-03 0.321D-04 0.399D-03 0.249D-02 0.108D-01
 Coeff-Com:  0.143D+00 0.286D+00 0.558D+00
 Coeff:      0.191D-05-0.218D-03 0.321D-04 0.399D-03 0.249D-02 0.108D-01
 Coeff:      0.143D+00 0.286D+00 0.558D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=6.40D-09 MaxDP=3.25D-07 DE=-1.14D-12 OVMax= 4.37D-07

 SCF Done:  E(RB3LYP) =  -681.638488093     A.U. after    9 cycles
            NFock=  9  Conv=0.64D-08     -V/T= 2.1198
 KE= 6.086968615324D+02 PE=-3.906850871619D+03 EE= 1.418274316503D+03
 Leave Link  502 at Thu Jul 22 20:46:43 2021, MaxMem=  5637144576 cpu:            5805.7 elap:             727.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   700
 NBasis=   700 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    700 NOA=    58 NOB=    58 NVA=   642 NVB=   642

 **** Warning!!: The largest alpha MO coefficient is  0.85079275D+02

 Leave Link  801 at Thu Jul 22 20:46:44 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11251 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.21D-13 8.33D-09 XBig12= 1.00D+00 4.28D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.21D-13 8.33D-09 XBig12= 2.57D-01 1.24D-01.
     11 vectors produced by pass  2 Test12= 6.21D-13 8.33D-09 XBig12= 1.01D-01 7.54D-02.
     11 vectors produced by pass  3 Test12= 6.21D-13 8.33D-09 XBig12= 1.97D-02 1.99D-02.
     11 vectors produced by pass  4 Test12= 6.21D-13 8.33D-09 XBig12= 2.67D-03 8.82D-03.
     11 vectors produced by pass  5 Test12= 6.21D-13 8.33D-09 XBig12= 5.26D-04 9.29D-03.
     11 vectors produced by pass  6 Test12= 6.21D-13 8.33D-09 XBig12= 8.93D-05 3.57D-03.
     11 vectors produced by pass  7 Test12= 6.21D-13 8.33D-09 XBig12= 3.73D-06 3.93D-04.
     11 vectors produced by pass  8 Test12= 6.21D-13 8.33D-09 XBig12= 1.01D-07 6.17D-05.
     11 vectors produced by pass  9 Test12= 6.21D-13 8.33D-09 XBig12= 1.65D-09 6.90D-06.
     11 vectors produced by pass 10 Test12= 6.21D-13 8.33D-09 XBig12= 3.57D-11 1.79D-06.
      7 vectors produced by pass 11 Test12= 6.21D-13 8.33D-09 XBig12= 8.23D-13 3.11D-07.
      1 vectors produced by pass 12 Test12= 6.21D-13 8.33D-09 XBig12= 1.39D-14 3.47D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.158605D+03
      2 -0.961591D-03  0.157093D+03
      3 -0.181173D-02  0.448344D-01  0.124089D+03
 Isotropic polarizability for W=    0.085645      146.60 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.922565D+02 -0.541344D+00  0.159523D-01
      2   0.987864D+02  0.573028D+00  0.146011D-01
      3  -0.652987D+01 -0.316836D-01 -0.305534D-01
      4  -0.562330D+00  0.101539D+03 -0.505133D+01
      5  -0.656388D-01  0.170304D+01 -0.950527D+01
      6  -0.101987D+02 -0.741737D-01 -0.547508D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.106359D+01 -0.428307D-01  0.254049D-02
      2  -0.242613D-01  0.374563D+01 -0.206705D+01
      3  -0.185331D-01 -0.192289D+01 -0.423882D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.675437D+01 -0.887748D-01  0.230672D-01
      2   0.815911D-01  0.514740D+01 -0.297540D+01
      3  -0.209862D-01 -0.275212D+01 -0.119018D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.144200D+01  0.158751D-01  0.425827D-02
      2   0.158751D-01 -0.136435D+01  0.281544D+00
      3   0.425827D-02  0.281544D+00 -0.163443D+01
 OR G Eigenvalues:    -1.8117    -1.1872     1.4421  Iso=     0.5189
 Eigenvectors:
   (1)   0.001492  -0.532733   0.846282
   (2)  -0.005972   0.846263   0.532732
   (3)   0.999981   0.005849   0.001919
 w=    0.085645 a.u., Optical Rotation Beta=      0.5189 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =       86.90 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  245350 ScalPx= 2.89D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  245350 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.00D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.03D-13 2.78D-09 XBig12= 1.00D+00 4.48D-01.
     30 vectors produced by pass  1 Test12= 1.03D-13 2.78D-09 XBig12= 1.00D+00 4.98D-01.
     30 vectors produced by pass  2 Test12= 1.03D-13 2.78D-09 XBig12= 1.06D-02 1.75D-02.
     30 vectors produced by pass  3 Test12= 1.03D-13 2.78D-09 XBig12= 9.43D-04 7.89D-03.
     30 vectors produced by pass  4 Test12= 1.03D-13 2.78D-09 XBig12= 1.38D-05 8.16D-04.
     30 vectors produced by pass  5 Test12= 1.03D-13 2.78D-09 XBig12= 6.14D-08 3.64D-05.
     30 vectors produced by pass  6 Test12= 1.03D-13 2.78D-09 XBig12= 4.15D-10 3.34D-06.
     30 vectors produced by pass  7 Test12= 1.03D-13 2.78D-09 XBig12= 2.33D-12 1.95D-07.
     11 vectors produced by pass  8 Test12= 1.03D-13 2.78D-09 XBig12= 8.06D-15 1.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   251 with    30 vectors.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  245350 ScalPx= 1.06D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  245350 ScalPx= 1.06D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  245350 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.00D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158605D+03 -0.961591D-03 -0.181173D-02
      2  -0.961591D-03  0.157093D+03  0.448344D-01
      3  -0.181173D-02  0.448344D-01  0.124089D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.106359D+01 -0.428307D-01  0.254049D-02
      2  -0.242613D-01  0.374563D+01 -0.206705D+01
      3  -0.185331D-01 -0.192289D+01 -0.423882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.922565D+02 -0.541344D+00  0.159523D-01
      2   0.987864D+02  0.573028D+00  0.146011D-01
      3  -0.652987D+01 -0.316836D-01 -0.305534D-01
      4  -0.562330D+00  0.101539D+03 -0.505133D+01
      5  -0.656388D-01  0.170304D+01 -0.950527D+01
      6  -0.101987D+02 -0.741737D-01 -0.547508D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.491299D+01 -0.419290D+01  0.358802D+01 -0.605953D+01  0.139637D+01
      2  -0.419290D+01  0.812106D+00 -0.550434D+00  0.139637D+01  0.294819D+01
      3   0.358802D+01 -0.550434D+00  0.881574D+00 -0.137941D+01  0.299149D+01
                 6             7             8             9            10 
      1  -0.137941D+01  0.232798D+01 -0.801593D+00  0.114386D+01  0.485761D+01
      2   0.299149D+01 -0.801593D+00  0.225094D+01  0.799489D+00  0.420010D+01
      3   0.594132D+00  0.114386D+01  0.799489D+00 -0.540627D+00 -0.357557D+01
                11            12            13            14            15 
      1   0.420010D+01 -0.357557D+01  0.607792D+01  0.146369D+01 -0.137198D+01
      2   0.868332D+00 -0.541167D+00  0.146369D+01 -0.293197D+01 -0.299702D+01
      3  -0.541167D+00  0.867542D+00 -0.137198D+01 -0.299702D+01 -0.590255D+00
                16            17            18            19            20 
      1  -0.231416D+01 -0.787583D+00  0.113590D+01 -0.952842D+01 -0.490036D+01
      2  -0.787583D+00 -0.225370D+01 -0.794783D+00 -0.490036D+01 -0.146225D+01
      3   0.113590D+01 -0.794783D+00  0.542509D+00  0.530897D+01  0.149816D+01
                21            22            23            24            25 
      1   0.530897D+01 -0.174986D+01 -0.666497D+00  0.272883D+00  0.339821D+01
      2   0.149816D+01 -0.666497D+00  0.175070D+01  0.139224D+01  0.128641D+01
      3  -0.220793D+01  0.272883D+00  0.139224D+01 -0.730775D+00 -0.211032D+01
                26            27            28            29            30 
      1   0.128641D+01 -0.211032D+01  0.189790D+01  0.120478D-01  0.394576D-02
      2   0.185803D+01 -0.101874D+01  0.120478D-01 -0.218971D+01 -0.167700D+01
      3  -0.101874D+01 -0.181139D+01  0.394576D-02 -0.167700D+01  0.242022D+00
                31            32            33            34            35 
      1   0.165853D-01 -0.215216D+01  0.201157D+01  0.888127D-02 -0.799015D-01
      2  -0.215216D+01 -0.790475D-02  0.177114D-02 -0.799015D-01  0.160186D-01
      3   0.201157D+01  0.177114D-02  0.383315D-02  0.146893D+00  0.398998D-02
                36            37            38            39            40 
      1   0.146893D+00  0.531647D+01  0.425869D+01 -0.201940D+01  0.635785D+01
      2   0.398998D-02  0.425869D+01  0.153977D+01 -0.320808D+01  0.364834D+01
      3   0.283230D-02 -0.201940D+01 -0.320808D+01  0.192658D+01 -0.393763D+01
                41            42            43            44            45 
      1   0.364834D+01 -0.393763D+01 -0.163848D+01 -0.208935D+01  0.253723D+01
      2   0.341109D+01 -0.268643D+01 -0.208935D+01 -0.140891D+01 -0.383382D-01
      3  -0.268643D+01  0.603855D+00  0.253723D+01 -0.383382D-01  0.744321D+00
                46            47            48            49            50 
      1  -0.307822D+01 -0.115768D+01 -0.269580D+00 -0.245582D+01 -0.262755D+01
      2  -0.115768D+01 -0.878048D+00  0.338048D+01 -0.262755D+01 -0.168612D+01
      3  -0.269580D+00  0.338048D+01 -0.190808D+01  0.342444D+01  0.274838D+01
                51            52            53            54            55 
      1   0.342444D+01  0.212407D+00  0.465111D+01 -0.297559D+01  0.616802D+00
      2   0.274838D+01  0.465111D+01  0.328595D+01 -0.899529D+00 -0.105704D+01
      3  -0.239021D+00 -0.297559D+01 -0.899529D+00  0.345943D+00  0.105209D+01
                56            57            58            59            60 
      1  -0.105704D+01  0.105209D+01 -0.233669D+00 -0.389049D+00 -0.292839D+01
      2  -0.235307D+01 -0.294725D+01 -0.389049D+00 -0.568772D+01 -0.345967D+01
      3  -0.294725D+01  0.881460D+00 -0.292839D+01 -0.345967D+01 -0.150389D+01
                61            62            63            64            65 
      1   0.164585D+01 -0.356460D+01  0.838597D+00  0.147882D+01  0.287025D+00
      2  -0.356460D+01 -0.505272D+01 -0.273449D+01  0.287025D+00  0.370454D+01
      3   0.838597D+00 -0.273449D+01 -0.202106D+00 -0.742297D+00  0.233031D+01
                66            67            68            69            70 
      1  -0.742297D+00 -0.435614D+00  0.912212D+00  0.165220D+01 -0.477689D+00
      2   0.233031D+01  0.912212D+00  0.117743D+02  0.505858D+01  0.100891D+01
      3  -0.536472D+00  0.165220D+01  0.505858D+01  0.167625D+01 -0.130653D+01
                71            72            73            74            75 
      1   0.100891D+01 -0.130653D+01 -0.955046D+01  0.487374D+01 -0.530999D+01
      2   0.328876D+01  0.200492D+01  0.487374D+01 -0.141678D+01  0.149061D+01
      3   0.200492D+01 -0.795903D+00 -0.530999D+01  0.149061D+01 -0.222122D+01
                76            77            78            79            80 
      1   0.171411D+01 -0.630580D+00  0.258857D+00 -0.340504D+01  0.128830D+01
      2  -0.630580D+00 -0.175928D+01 -0.139252D+01  0.128830D+01 -0.185987D+01
      3   0.258857D+00 -0.139252D+01  0.710926D+00 -0.212308D+01  0.100235D+01
                81            82            83            84            85 
      1  -0.212308D+01  0.535602D+01 -0.425157D+01  0.203294D+01 -0.635843D+01
      2   0.100235D+01 -0.425157D+01  0.153115D+01 -0.322153D+01  0.363005D+01
      3   0.181242D+01  0.203294D+01 -0.322153D+01  0.192059D+01 -0.395183D+01
                86            87            88            89            90 
      1   0.363005D+01 -0.395183D+01  0.163720D+01 -0.209357D+01  0.252923D+01
      2  -0.339423D+01  0.265774D+01 -0.209357D+01  0.138807D+01  0.467659D-01
      3   0.265774D+01 -0.598328D+00  0.252923D+01  0.467659D-01 -0.734137D+00
                91            92            93            94            95 
      1  -0.309741D+01  0.115288D+01  0.241844D+00  0.245959D+01 -0.263183D+01
      2   0.115288D+01 -0.891707D+00  0.340067D+01 -0.263183D+01  0.167889D+01
      3   0.241844D+00  0.340067D+01 -0.189763D+01  0.344249D+01 -0.272144D+01
                96            97            98            99           100 
      1   0.344249D+01 -0.245278D+00  0.466714D+01 -0.296491D+01  0.605462D+00
      2  -0.272144D+01  0.466714D+01 -0.324726D+01  0.881494D+00  0.107751D+01
      3   0.225675D+00 -0.296491D+01  0.881494D+00 -0.351575D+00 -0.102187D+01
               101           102           103           104           105 
      1   0.107751D+01 -0.102187D+01  0.240829D+00 -0.389458D+00 -0.294876D+01
      2  -0.235875D+01 -0.297207D+01 -0.389458D+00  0.563988D+01  0.342466D+01
      3  -0.297207D+01  0.860935D+00 -0.294876D+01  0.342466D+01  0.151645D+01
               106           107           108           109           110 
      1  -0.161126D+01 -0.359566D+01  0.812086D+00  0.148163D+01 -0.298742D+00
      2  -0.359566D+01  0.502199D+01  0.275317D+01 -0.298742D+00  0.374086D+01
      3   0.812086D+00  0.275317D+01  0.214028D+00  0.721565D+00  0.235267D+01
               111           112           113           114           115 
      1   0.721565D+00  0.434882D+00  0.951150D+00  0.167264D+01  0.467682D+00
      2   0.235267D+01  0.951150D+00 -0.117366D+02 -0.503964D+01  0.102414D+01
      3  -0.524532D+00  0.167264D+01 -0.503964D+01 -0.168524D+01 -0.129339D+01
               116           117           118           119           120 
      1   0.102414D+01 -0.129339D+01  0.513051D+01  0.224321D+00  0.154557D+01
      2  -0.329854D+01 -0.202404D+01  0.224321D+00  0.128976D+01 -0.265499D+00
      3  -0.202404D+01  0.794028D+00  0.154557D+01 -0.265499D+00  0.144433D+01
               121           122           123           124           125 
      1  -0.786300D+00  0.875620D+00 -0.563424D+00  0.269756D+01 -0.481354D+00
      2   0.875620D+00 -0.851346D+00  0.373734D+00 -0.481354D+00  0.854331D+00
      3  -0.563424D+00  0.373734D+00 -0.435657D+00  0.204153D+01  0.125869D-01
               126           127           128           129           130 
      1   0.204153D+01  0.458184D+01  0.302353D+01 -0.160259D+01  0.311363D+01
      2   0.125869D-01  0.302353D+01  0.270939D+01 -0.147875D+01  0.336384D+01
      3   0.211389D+01 -0.160259D+01 -0.147875D+01  0.143849D+01 -0.156022D+01
               131           132           133           134           135 
      1   0.336384D+01 -0.156022D+01 -0.287928D+01 -0.300632D+01  0.259347D+01
      2   0.564085D+01 -0.209349D+01 -0.300632D+01 -0.326874D+01  0.252980D+01
      3  -0.209349D+01  0.160743D+01  0.259347D+01  0.252980D+01 -0.276295D+01
               136           137           138           139           140 
      1  -0.248732D+01  0.110828D+01 -0.107296D+01  0.935397D+00 -0.112746D+01
      2   0.110828D+01 -0.223139D+01  0.899501D+00 -0.112746D+01  0.362547D+01
      3  -0.107296D+01  0.899501D+00 -0.116682D+01  0.561449D+00 -0.893713D+00
               141           142           143           144           145 
      1   0.561449D+00 -0.176662D+01  0.104079D+01 -0.105073D+01  0.150464D+01
      2  -0.893713D+00  0.104079D+01 -0.175518D+01  0.177104D+01  0.207144D+01
      3   0.992411D+00 -0.105073D+01  0.177104D+01 -0.220355D+01  0.580982D+00
               146           147           148           149           150 
      1   0.207144D+01  0.580982D+00  0.155689D+01  0.206047D+01  0.881471D+00
      2   0.244829D+01  0.963090D+00  0.206047D+01  0.955270D+01  0.294408D+01
      3   0.963090D+00  0.616091D+00  0.881471D+00  0.294408D+01  0.195574D+01
               151           152           153           154           155 
      1   0.502948D+00  0.162082D+01  0.823380D+00 -0.247101D+01 -0.111131D+01
      2   0.162082D+01  0.550552D+01  0.334624D+01 -0.111131D+01 -0.223246D+01
      3   0.823380D+00  0.334624D+01  0.252313D+01  0.106276D+01  0.900845D+00
               156           157           158           159           160 
      1   0.106276D+01 -0.941550D+00 -0.112528D+01  0.562532D+00  0.175356D+01
      2   0.900845D+00 -0.112528D+01 -0.365857D+01  0.901572D+00  0.104216D+01
      3  -0.115888D+01  0.562532D+00  0.901572D+00 -0.999879D+00 -0.103903D+01
               161           162           163           164           165 
      1   0.104216D+01 -0.103903D+01  0.153048D+01 -0.208546D+01 -0.593488D+00
      2   0.176981D+01 -0.177656D+01 -0.208546D+01  0.247425D+01  0.978407D+00
      3  -0.177656D+01  0.219525D+01 -0.593488D+00  0.978407D+00  0.630317D+00
               166           167           168           169           170 
      1  -0.156635D+01  0.207889D+01  0.893231D+00 -0.520720D+00  0.164515D+01
      2   0.207889D+01 -0.949203D+01 -0.293842D+01  0.164515D+01 -0.549961D+01
      3   0.893231D+00 -0.293842D+01 -0.195786D+01  0.842615D+00 -0.335160D+01
               171           172           173           174           175 
      1   0.842615D+00  0.512937D+01 -0.206671D+00 -0.153898D+01  0.805230D+00
      2  -0.335160D+01 -0.206671D+00  0.128730D+01 -0.273225D+00  0.876783D+00
      3  -0.253808D+01 -0.153898D+01 -0.273225D+00  0.144003D+01 -0.570038D+00
               176           177           178           179           180 
      1   0.876783D+00 -0.570038D+00 -0.268626D+01 -0.493338D+00  0.203622D+01
      2   0.870893D+00 -0.377129D+00 -0.493338D+00 -0.858293D+00 -0.111328D-02
      3  -0.377129D+00  0.443587D+00  0.203622D+01 -0.111328D-02 -0.210721D+01
               181           182           183           184           185 
      1   0.461907D+01 -0.303208D+01  0.161278D+01 -0.312474D+01  0.336772D+01
      2  -0.303208D+01  0.271425D+01 -0.148166D+01  0.336772D+01 -0.561463D+01
      3   0.161278D+01 -0.148166D+01  0.144228D+01 -0.156257D+01  0.208114D+01
               186           187           188           189           190 
      1  -0.156257D+01  0.289676D+01 -0.300699D+01  0.259865D+01  0.467076D+01
      2   0.208114D+01 -0.300699D+01  0.324506D+01 -0.251853D+01  0.949372D+00
      3  -0.160088D+01  0.259865D+01 -0.251853D+01  0.275759D+01  0.193788D+01
               191           192           193           194           195 
      1   0.949372D+00  0.193788D+01  0.273733D+01  0.136240D+00  0.194950D+01
      2   0.188682D+01  0.779191D+00  0.136240D+00  0.210116D+01 -0.410071D-01
      3   0.779191D+00  0.159507D+01  0.194950D+01 -0.410071D-01  0.146538D+01
               196           197           198           199           200 
      1   0.106020D+01  0.104456D+01  0.101118D+01 -0.166100D+01  0.135675D+01
      2   0.104456D+01  0.165547D+00  0.606607D+00  0.135675D+01 -0.102317D+01
      3   0.101118D+01  0.606607D+00  0.181753D+01 -0.129148D+00  0.105371D+01
               201           202           203           204           205 
      1  -0.129148D+00 -0.496554D-01 -0.236016D-01  0.314302D+00  0.130777D+01
      2   0.105371D+01 -0.236016D-01 -0.125134D+01  0.953405D+00 -0.305646D+00
      3  -0.171757D+01  0.314302D+00  0.953405D+00 -0.140222D+01  0.202475D+00
               206           207           208           209           210 
      1  -0.305646D+00  0.202475D+00 -0.366298D+01 -0.111035D+01 -0.166961D+01
      2   0.142765D+01 -0.141704D+01 -0.111035D+01 -0.385457D+01 -0.206651D+01
      3  -0.141704D+01  0.599237D+01 -0.166961D+01 -0.206651D+01 -0.197661D+01
               211           212           213           214           215 
      1  -0.172932D+01 -0.134183D+01 -0.988044D+00 -0.132860D+01 -0.866688D+00
      2  -0.134183D+01 -0.147782D+01 -0.285666D+00 -0.866688D+00  0.413080D-01
      3  -0.988044D+00 -0.285666D+00 -0.745651D+00 -0.100823D+01 -0.655056D+00
               216           217           218           219           220 
      1  -0.100823D+01  0.885412D+00 -0.685926D+00 -0.130270D+01 -0.493932D+00
      2  -0.655056D+00 -0.685926D+00  0.165238D+01  0.499266D+00 -0.994151D-01
      3  -0.186673D+01 -0.130270D+01  0.499266D+00  0.207914D+01 -0.241179D+00
               221           222           223           224           225 
      1  -0.994151D-01 -0.241179D+00 -0.115801D+01  0.226722D+00  0.116931D+01
      2   0.214059D+01  0.375260D+00  0.226722D+00 -0.160770D+01 -0.923195D+00
      3   0.375260D+00  0.654530D+00  0.116931D+01 -0.923195D+00 -0.582282D+01
               226           227           228           229           230 
      1   0.468918D+00  0.419020D+00  0.826880D+00  0.274149D+01 -0.124847D+01
      2   0.419020D+00 -0.109247D+01 -0.141412D+00 -0.124847D+01  0.600876D+01
      3   0.826880D+00 -0.141412D+00  0.187386D+00  0.965316D+00 -0.985058D+00
               231           232           233           234           235 
      1   0.965316D+00  0.181677D+01 -0.434479D+00  0.560878D+00  0.857445D+00
      2  -0.985058D+00 -0.434479D+00  0.267326D-01  0.482775D+00 -0.763159D+00
      3   0.132230D+01  0.560878D+00  0.482775D+00 -0.256660D+00  0.412903D-01
               236           237           238           239           240 
      1  -0.763159D+00  0.412903D-01 -0.127686D+01  0.996436D-01 -0.442905D+00
      2  -0.945588D-01 -0.388341D+00  0.996436D-01  0.746537D+00 -0.573112D+00
      3  -0.388341D+00  0.719785D+00 -0.442905D+00 -0.573112D+00 -0.363564D+00
               241           242           243           244           245 
      1  -0.201943D+01  0.287710D+00 -0.101921D+01 -0.367381D+01  0.111808D+01
      2   0.287710D+00 -0.106963D+01  0.123613D+01  0.111808D+01 -0.385440D+01
      3  -0.101921D+01  0.123613D+01 -0.744544D+01  0.168257D+01 -0.206286D+01
               246           247           248           249           250 
      1   0.168257D+01  0.172577D+01 -0.133734D+01 -0.983686D+00  0.133431D+01
      2  -0.206286D+01 -0.133734D+01  0.145276D+01  0.275304D+00 -0.861993D+00
      3  -0.198135D+01 -0.983686D+00  0.275304D+00  0.740420D+00 -0.101175D+01
               251           252           253           254           255 
      1  -0.861993D+00 -0.101175D+01  0.883421D+00  0.685493D+00  0.130578D+01
      2  -0.440436D-01  0.655507D+00  0.685493D+00  0.166828D+01  0.507849D+00
      3   0.655507D+00  0.187098D+01  0.130578D+01  0.507849D+00  0.208770D+01
               256           257           258           259           260 
      1   0.498827D+00 -0.865551D-01 -0.235040D+00  0.115739D+01  0.227218D+00
      2  -0.865551D-01 -0.213334D+01 -0.373029D+00  0.227218D+00  0.161233D+01
      3  -0.235040D+00 -0.373029D+00 -0.641066D+00  0.117041D+01  0.933922D+00
               261           262           263           264           265 
      1   0.117041D+01  0.469542D+01 -0.946337D+00 -0.193966D+01 -0.272643D+01
      2   0.933922D+00 -0.946337D+00  0.189422D+01  0.770026D+00  0.136377D+00
      3   0.582309D+01 -0.193966D+01  0.770026D+00  0.159172D+01  0.193784D+01
               266           267           268           269           270 
      1   0.136377D+00  0.193784D+01 -0.105558D+01  0.104250D+01  0.100312D+01
      2  -0.209647D+01  0.539834D-01  0.104250D+01 -0.151971D+00 -0.602111D+00
      3   0.539834D-01 -0.145278D+01  0.100312D+01 -0.602111D+00 -0.180189D+01
               271           272           273           274           275 
      1  -0.164768D+01 -0.136008D+01  0.125949D+00  0.396248D-01 -0.307846D-01
      2  -0.136008D+01 -0.103024D+01  0.105171D+01 -0.307846D-01  0.124001D+01
      3   0.125949D+00  0.105171D+01 -0.171564D+01  0.314975D+00 -0.943657D+00
               276           277           278           279           280 
      1   0.314975D+00 -0.131045D+01 -0.310865D+00  0.207327D+00 -0.109725D+01
      2  -0.943657D+00 -0.310865D+00 -0.143011D+01  0.141168D+01 -0.729823D+00
      3   0.138739D+01  0.207327D+00  0.141168D+01 -0.600570D+01 -0.105539D+01
               281           282           283           284           285 
      1  -0.729823D+00 -0.105539D+01 -0.155185D+01 -0.132438D+01 -0.581462D+00
      2  -0.392848D+00 -0.186254D+00 -0.132438D+01 -0.420618D+01 -0.211606D+01
      3  -0.186254D+00 -0.457575D+00 -0.581462D+00 -0.211606D+01 -0.227623D+01
               286           287           288           289           290 
      1  -0.166370D+01 -0.432572D+00 -0.970182D+00 -0.988709D+01  0.246642D+01
      2  -0.432572D+00 -0.156614D+01 -0.149023D+01  0.246642D+01 -0.164022D+01
      3  -0.970182D+00 -0.149023D+01 -0.221347D+01 -0.271890D+01  0.665765D+00
               291           292           293           294           295 
      1  -0.271890D+01  0.492898D+01 -0.263227D+01  0.160293D+01 -0.302484D+01
      2   0.665765D+00 -0.263227D+01  0.137399D+01 -0.128704D+01  0.843765D+00
      3  -0.191463D+01  0.160293D+01 -0.128704D+01  0.938470D+00 -0.255148D+01
               296           297           298           299           300 
      1   0.843765D+00 -0.255148D+01 -0.985233D+01 -0.249156D+01  0.269964D+01
      2  -0.757585D+00  0.648134D+00 -0.249156D+01 -0.165734D+01  0.668265D+00
      3   0.648134D+00 -0.156174D+01  0.269964D+01  0.668265D+00 -0.190295D+01
               301           302           303           304           305 
      1  -0.495996D+01 -0.266066D+01  0.160475D+01  0.300403D+01  0.847918D+00
      2  -0.266066D+01 -0.140465D+01  0.129259D+01  0.847918D+00  0.761207D+00
      3   0.160475D+01  0.129259D+01 -0.943539D+00 -0.253963D+01 -0.656326D+00
               306           307           308           309           310 
      1  -0.253963D+01 -0.111967D+01  0.734897D+00  0.105936D+01  0.156332D+01
      2  -0.656326D+00  0.734897D+00 -0.410617D+00 -0.193888D+00 -0.134195D+01
      3   0.155011D+01  0.105936D+01 -0.193888D+00 -0.468627D+00 -0.590921D+00
               311           312           313           314           315 
      1  -0.134195D+01 -0.590921D+00  0.166837D+01 -0.436554D+00 -0.977670D+00
      2   0.419491D+01  0.211139D+01 -0.436554D+00  0.156156D+01  0.148542D+01
      3   0.211139D+01  0.227370D+01 -0.977670D+00  0.148542D+01  0.221026D+01
               316           317           318           319           320 
      1   0.845359D+00  0.767809D+00 -0.384389D-01  0.128667D+01  0.109962D+00
      2   0.767809D+00 -0.878604D-01 -0.387647D+00  0.109962D+00 -0.740901D+00
      3  -0.384389D-01 -0.387647D+00  0.711286D+00 -0.447618D+00  0.568349D+00
               321           322           323           324           325 
      1  -0.447618D+00  0.201739D+01  0.291941D+00 -0.102173D+01  0.488320D+00
      2   0.568349D+00  0.291941D+00  0.106867D+01 -0.122813D+01 -0.406354D+00
      3   0.379669D+00 -0.102173D+01 -0.122813D+01  0.744809D+01 -0.830246D+00
               326           327           328           329           330 
      1  -0.406354D+00 -0.830246D+00 -0.273507D+01 -0.124025D+01  0.961729D+00
      2  -0.106923D+01 -0.146965D+00 -0.124025D+01 -0.602063D+01  0.998440D+00
      3  -0.146965D+00  0.192181D+00  0.961729D+00  0.998440D+00 -0.132533D+01
               331           332           333 
      1  -0.180984D+01 -0.438210D+00  0.559115D+00
      2  -0.438210D+00 -0.194624D-01 -0.482202D+00
      3   0.559115D+00 -0.482202D+00  0.263593D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.242330D+01 -0.272041D+00 -0.152368D-01  0.491011D+00 -0.221524D+01
      2  -0.272018D+01 -0.721806D+01  0.791759D+01 -0.815658D+01 -0.858218D+01
      3  -0.819447D+01 -0.230781D+01  0.334200D+01  0.135298D+01  0.107010D+02
                 6             7             8             9            10 
      1  -0.440612D+01  0.769925D+00 -0.669906D+00 -0.475636D+00  0.243306D+01
      2  -0.639139D+01  0.265687D+01 -0.219961D+00  0.156546D+00  0.277334D+01
      3   0.925803D+01  0.387661D+01  0.982442D+01  0.342994D+01  0.822704D+01
                11            12            13            14            15 
      1   0.340752D+00 -0.437060D-02 -0.421716D+00 -0.222818D+01 -0.441900D+01
      2  -0.725496D+01  0.791409D+01 -0.822000D+01  0.849839D+01  0.639251D+01
      3  -0.216310D+01  0.339548D+01  0.149902D+01 -0.106865D+02 -0.924407D+01
                16            17            18            19            20 
      1  -0.778971D+00 -0.662084D+00 -0.466245D+00  0.109034D+00  0.704527D+01
      2   0.262467D+01  0.207200D+00 -0.139136D+00 -0.160070D+02  0.489610D+00
      3   0.393115D+01 -0.982049D+01 -0.341380D+01 -0.902828D+01  0.464081D+01
                21            22            23            24            25 
      1   0.107280D+01  0.170678D+02  0.151798D+02 -0.957682D+01  0.957583D+01
      2  -0.327070D+01 -0.141155D+01 -0.276460D+01 -0.630653D+00 -0.228858D+02
      3  -0.148456D+00  0.241490D+02  0.166862D+02 -0.882430D+01  0.217411D+01
                26            27            28            29            30 
      1   0.623994D+01 -0.127935D+02 -0.261964D+01 -0.726823D-02  0.116533D-01
      2  -0.830245D+01  0.214638D+02 -0.168872D-01  0.222016D+01  0.787304D-01
      3  -0.267563D+01  0.668706D+00 -0.265151D-02 -0.176466D+00  0.139530D+01
                31            32            33            34            35 
      1  -0.272773D-01  0.737478D+00  0.371659D+00  0.664520D-03 -0.291425D+01
      2   0.504814D-01 -0.161499D-02 -0.971579D-02  0.387128D+01  0.119989D-01
      3  -0.196914D+01  0.151997D-01  0.278536D-01  0.672523D+00  0.894771D-02
                36            37            38            39            40 
      1   0.181353D+00 -0.802074D+01  0.759158D+01  0.774973D+01  0.100622D+02
      2  -0.119127D-01 -0.182177D+02 -0.811582D+01  0.768683D+01  0.156451D+01
      3  -0.156369D-02 -0.231860D+02 -0.339875D+01  0.125838D+02  0.156371D+02
                41            42            43            44            45 
      1   0.955207D+01 -0.273384D+01  0.116723D+02  0.854802D+01 -0.737688D+01
      2  -0.415476D+00 -0.979769D+01 -0.164847D+02 -0.166445D+02  0.174195D+02
      3   0.142382D+02 -0.635001D+01  0.562876D+01 -0.510724D+01  0.274703D+01
                46            47            48            49            50 
      1   0.647040D+01 -0.387780D+01  0.313618D+01 -0.284791D+01 -0.719425D+01
      2  -0.420817D+01  0.520810D+01 -0.245060D+01  0.351815D+01  0.519697D+01
      3  -0.439128D+01  0.121860D+01 -0.906943D+01  0.775240D+01 -0.227883D+01
                51            52            53            54            55 
      1  -0.724066D+01  0.163490D+01 -0.362377D+01  0.121254D+01 -0.737503D+00
      2   0.353929D+01 -0.440656D+01  0.434720D+01 -0.121444D+01 -0.943884D+00
      3  -0.364554D+01 -0.135322D+02 -0.160052D+01 -0.594454D+01  0.686560D+01
                56            57            58            59            60 
      1   0.810366D+01 -0.772584D+01  0.979833D+01  0.166627D+01 -0.667102D+00
      2  -0.348835D+01  0.474755D+01 -0.321467D+01  0.103810D+01  0.865827D+00
      3  -0.610544D+01  0.164074D+01  0.441019D-01 -0.660809D+00 -0.939885D+01
                61            62            63            64            65 
      1  -0.714826D+01  0.595239D+00 -0.133584D+01  0.617645D+00  0.239786D+01
      2   0.488238D+00  0.108940D+01  0.423299D+00 -0.295789D+01  0.163295D+02
      3   0.574447D+01 -0.122592D+02  0.636261D+01  0.331489D+00 -0.294162D+02
                66            67            68            69            70 
      1   0.727937D+01 -0.353189D+01 -0.159873D+02  0.265508D+01  0.701110D+01
      2   0.111616D+02  0.908575D+01 -0.404399D+01 -0.494735D+01  0.122244D+01
      3  -0.120115D+02 -0.915770D+01  0.864390D+01  0.792436D+01 -0.682296D+01
                71            72            73            74            75 
      1   0.272669D+02  0.179226D+02  0.152233D+00 -0.710775D+01 -0.100454D+01
      2  -0.115289D+01  0.210486D+01  0.160813D+02  0.495761D+00 -0.319941D+01
      3   0.233696D+01 -0.266840D+01  0.895514D+01  0.470665D+01 -0.162996D+00
                76            77            78            79            80 
      1  -0.171018D+02  0.150891D+02 -0.955301D+01 -0.951972D+01  0.621327D+01
      2  -0.144064D+01  0.283253D+01  0.616136D+00 -0.228683D+02  0.828350D+01
      3   0.241609D+02 -0.165731D+02  0.879008D+01  0.218087D+01  0.267422D+01
                81            82            83            84            85 
      1  -0.127163D+02 -0.802500D+01 -0.761367D+01 -0.780819D+01 -0.101216D+02
      2  -0.215185D+02  0.181374D+02 -0.811955D+01  0.763187D+01  0.160329D+01
      3  -0.704219D+00  0.230887D+02 -0.333223D+01  0.125983D+02  0.157520D+02
                86            87            88            89            90 
      1   0.949557D+01 -0.278789D+01 -0.116614D+02  0.844445D+01 -0.732531D+01
      2   0.382933D+00  0.985932D+01 -0.165459D+02  0.166257D+02 -0.173930D+02
      3  -0.142132D+02  0.642001D+01  0.561492D+01  0.514966D+01 -0.274738D+01
                91            92            93            94            95 
      1   0.642900D+01  0.391970D+01 -0.306504D+01  0.289235D+01 -0.711356D+01
      2   0.420870D+01  0.526465D+01 -0.241573D+01  0.354994D+01 -0.514826D+01
      3   0.437601D+01  0.128356D+01 -0.909173D+01  0.777007D+01  0.231549D+01
                96            97            98            99           100 
      1  -0.726218D+01 -0.157089D+01 -0.364884D+01  0.118836D+01 -0.650515D+00
      2  -0.360311D+01 -0.436235D+01 -0.441389D+01  0.120602D+01  0.977649D+00
      3   0.357463D+01 -0.135219D+02  0.150381D+01  0.594498D+01 -0.681598D+01
               101           102           103           104           105 
      1  -0.814601D+01  0.766230D+01 -0.983712D+01  0.165390D+01 -0.584494D+00
      2  -0.351555D+01  0.476891D+01 -0.325263D+01 -0.105509D+01 -0.848720D+00
      3  -0.618601D+01  0.159004D+01 -0.100758D-02  0.578917D+00  0.943021D+01
               106           107           108           109           110 
      1   0.708813D+01  0.672803D+00 -0.129693D+01  0.592059D+00 -0.240075D+01
      2   0.501993D+00 -0.108549D+01 -0.420350D+00  0.287523D+01  0.163101D+02
      3   0.567235D+01  0.123182D+02 -0.631077D+01 -0.201368D+00 -0.293692D+02
               111           112           113           114           115 
      1  -0.732585D+01  0.357184D+01 -0.160307D+02  0.256915D+01 -0.709732D+01
      2   0.111072D+02  0.909771D+01  0.408625D+01  0.500226D+01  0.118476D+01
      3  -0.119693D+02 -0.911991D+01 -0.877555D+01 -0.796934D+01 -0.679621D+01
               116           117           118           119           120 
      1   0.272388D+02  0.179460D+02 -0.451263D+01  0.102730D+01 -0.315277D+01
      2   0.124381D+01 -0.205036D+01  0.535192D+01 -0.107825D+01  0.546517D+01
      3  -0.236219D+01  0.265562D+01  0.121523D+02 -0.449344D+01  0.503149D+01
               121           122           123           124           125 
      1   0.155606D+01 -0.110511D+01  0.776209D+00 -0.447785D+01  0.230488D+01
      2  -0.194513D+01  0.142399D+01 -0.224294D+01  0.461961D+01 -0.641980D+00
      3  -0.390498D+01  0.706378D+01 -0.296605D+01  0.849175D+01 -0.494795D+01
               126           127           128           129           130 
      1  -0.609859D+01  0.145915D+01  0.904889D+00 -0.357578D+01  0.188640D+01
      2   0.715868D+01 -0.697119D+00 -0.112531D+01  0.355916D+01 -0.174799D+01
      3   0.513338D+01  0.459843D+01 -0.395633D+00 -0.883679D+00  0.805629D+00
               131           132           133           134           135 
      1   0.921692D+00 -0.405420D+01 -0.159307D+01  0.458843D+00  0.523186D+01
      2  -0.228792D+01  0.352643D+01  0.888179D+00  0.179722D+01 -0.479971D+01
      3  -0.562588D+01  0.805230D+00  0.133090D+01  0.402087D+01  0.132676D+00
               136           137           138           139           140 
      1   0.473391D+01 -0.354453D+01  0.522979D+01 -0.246185D+01  0.364011D+01
      2  -0.985745D+00  0.677970D+00  0.332999D+00  0.577835D+00 -0.755288D+00
      3  -0.123210D+02  0.373140D+01 -0.520842D+01  0.435449D+01 -0.700034D+01
               141           142           143           144           145 
      1  -0.394212D+01  0.451771D+01 -0.437514D+01  0.921089D+01 -0.418489D+00
      2   0.185993D+00 -0.230283D+01  0.521382D+00 -0.165391D+01 -0.389634D+00
      3   0.279589D+01 -0.853215D+01  0.483999D+01 -0.517065D+01  0.318657D+01
               146           147           148           149           150 
      1  -0.205959D+01 -0.190227D+01 -0.828286D+00 -0.349765D+01 -0.681672D+01
      2   0.598406D-01  0.872562D+00 -0.515531D+00  0.104201D+01  0.199035D+01
      3   0.375866D+01  0.993234D+00  0.507351D+01 -0.210412D+01 -0.385131D+00
               151           152           153           154           155 
      1  -0.381999D+00 -0.201175D+01 -0.660173D+01  0.468792D+01  0.356343D+01
      2  -0.144908D+01  0.253555D+00  0.203946D+01  0.984220D+00  0.690497D+00
      3   0.263232D+01  0.317638D+01 -0.250665D+00  0.122727D+02  0.378935D+01
               156           157           158           159           160 
      1  -0.520418D+01  0.247596D+01  0.366880D+01 -0.398243D+01 -0.447301D+01
      2   0.321380D+00  0.589943D+00  0.764836D+00 -0.200477D+00 -0.230231D+01
      3  -0.517681D+01  0.440504D+01  0.705908D+01 -0.281799D+01 -0.849687D+01
               161           162           163           164           165 
      1  -0.441057D+01  0.918307D+01 -0.439939D+00  0.207393D+01  0.194134D+01
      2  -0.549804D+00  0.167883D+01  0.393271D+00  0.705612D-01  0.891694D+00
      3  -0.488179D+01  0.515308D+01 -0.323483D+01  0.374342D+01  0.100132D+01
               166           167           168           169           170 
      1   0.856646D+00 -0.350402D+01 -0.680542D+01  0.412173D+00 -0.202732D+01
      2  -0.505326D+00 -0.106255D+01 -0.201466D+01 -0.144918D+01 -0.264067D+00
      3   0.504324D+01  0.212918D+01  0.380914D+00  0.265800D+01 -0.317879D+01
               171           172           173           174           175 
      1  -0.663445D+01 -0.447778D+01 -0.103945D+01  0.312056D+01 -0.156389D+01
      2  -0.207689D+01 -0.535235D+01 -0.110769D+01  0.545923D+01 -0.197067D+01
      3   0.234461D+00 -0.121383D+02 -0.454302D+01  0.502377D+01 -0.394801D+01
               176           177           178           179           180 
      1  -0.112004D+01  0.789316D+00  0.443609D+01  0.233739D+01 -0.605660D+01
      2  -0.145105D+01  0.227898D+01  0.462101D+01  0.683776D+00 -0.716236D+01
      3  -0.713646D+01  0.299490D+01  0.846776D+01  0.499715D+01 -0.513471D+01
               181           182           183           184           185 
      1   0.146078D+01 -0.897313D+00  0.357387D+01 -0.187418D+01  0.894881D+00
      2   0.706666D+00 -0.113120D+01  0.358192D+01 -0.175537D+01  0.227001D+01
      3  -0.460828D+01 -0.437215D+00 -0.877547D+00  0.765639D+00  0.562660D+01
               186           187           188           189           190 
      1  -0.402864D+01  0.158004D+01  0.472397D+00  0.520429D+01  0.470778D+01
      2  -0.352608D+01  0.887014D+00 -0.177712D+01  0.480553D+01 -0.323482D+01
      3  -0.803298D+00  0.133734D+01 -0.399607D+01 -0.135304D+00 -0.743502D+01
               191           192           193           194           195 
      1   0.422300D+01  0.330341D+01  0.442112D+01  0.572219D+01  0.207407D+01
      2  -0.106901D+01  0.661410D+00 -0.477602D+01  0.576038D+00 -0.478324D+00
      3  -0.606520D+01 -0.368187D+01 -0.659743D+01 -0.669442D+01 -0.372528D+01
               196           197           198           199           200 
      1   0.220154D+01  0.230626D+01  0.275106D+01  0.153697D+01 -0.182152D+01
      2   0.590282D+00  0.626514D+00  0.117554D+01 -0.531609D+00  0.253365D+01
      3  -0.210371D+01 -0.841788D+00 -0.305164D+01 -0.207991D+01  0.250902D+01
               201           202           203           204           205 
      1  -0.695753D+00  0.422496D+00 -0.446885D+00 -0.769620D+00 -0.407632D-01
      2  -0.582224D+01  0.153785D+01  0.177922D+01 -0.291310D+01 -0.164384D+01
      3  -0.282015D+01  0.140484D+01  0.131494D+01 -0.187335D+01 -0.122933D+00
               206           207           208           209           210 
      1   0.147648D+01  0.418874D+01 -0.312328D+01  0.322542D+01 -0.197247D+01
      2  -0.300692D+01  0.120422D+02 -0.851869D+01 -0.378998D+01 -0.336055D+01
      3  -0.243813D+01  0.252952D+01  0.124740D+02  0.358657D+01  0.584967D+01
               211           212           213           214           215 
      1   0.159448D+00 -0.872039D+00 -0.165408D+01 -0.246158D+01 -0.505423D+00
      2  -0.192822D+01 -0.103021D+01 -0.115989D+01 -0.260091D+01 -0.491485D+00
      3   0.304320D+01  0.195348D+01  0.136718D+01  0.230771D+01  0.142882D+01
               216           217           218           219           220 
      1  -0.240866D+01 -0.238726D+01 -0.325037D+00  0.525863D+01 -0.346117D+00
      2  -0.188616D+01  0.191219D+01 -0.157008D+01 -0.163172D+01  0.730191D+00
      3   0.310236D+01 -0.236416D+01  0.109216D+01  0.309714D+01 -0.546692D-01
               221           222           223           224           225 
      1   0.787071D+00  0.289891D+01  0.236171D+01  0.454154D-01 -0.122334D+02
      2  -0.210640D+01 -0.136948D+01 -0.266854D+01  0.725826D+00  0.199699D+01
      3   0.302625D+01  0.145137D+01  0.230235D+01 -0.116074D+01 -0.262985D+01
               226           227           228           229           230 
      1   0.517708D+00 -0.941576D+00  0.788900D+00  0.228268D+01 -0.104831D+02
      2   0.142997D+01  0.660916D+00  0.152428D+01  0.300551D+01  0.579864D+00
      3   0.644026D+00  0.421595D+00 -0.522651D+00  0.111119D+01  0.127181D+02
               231           232           233           234           235 
      1   0.402355D-01  0.226305D+01 -0.226199D+01  0.105099D+00 -0.157025D+01
      2  -0.938674D+00  0.191786D+01 -0.187790D+01  0.899384D+00  0.148283D+01
      3  -0.154766D+01  0.284804D+00  0.205825D+01  0.509012D+00  0.178288D+01
               236           237           238           239           240 
      1   0.704368D+00 -0.189846D+01  0.822139D+00  0.120190D+00  0.168044D+01
      2   0.118998D+01 -0.261827D+01 -0.357337D+00  0.156418D+01  0.790533D+00
      3  -0.740333D+00 -0.385114D+00 -0.212356D-01  0.579754D+00 -0.170979D+01
               241           242           243           244           245 
      1   0.160311D+01  0.631044D+00  0.725170D+01 -0.313580D+01 -0.320773D+01
      2  -0.165326D+01 -0.278904D+01  0.145608D+02  0.851409D+01 -0.378270D+01
      3  -0.248029D+01 -0.144336D+01  0.147472D+01 -0.124836D+02  0.355500D+01
               246           247           248           249           250 
      1   0.200088D+01 -0.157838D+00 -0.888923D+00 -0.165299D+01  0.247530D+01
      2  -0.335636D+01 -0.190311D+01  0.100476D+01  0.114371D+01 -0.259337D+01
      3   0.585635D+01  0.300538D+01 -0.193769D+01 -0.135056D+01  0.231530D+01
               251           252           253           254           255 
      1  -0.498057D+00 -0.241958D+01 -0.238993D+01  0.317942D+00 -0.527814D+01
      2   0.489037D+00  0.188113D+01 -0.192717D+01 -0.158627D+01 -0.165552D+01
      3  -0.143317D+01 -0.311199D+01  0.237273D+01  0.111602D+01  0.311178D+01
               256           257           258           259           260 
      1   0.331201D+00  0.765164D+00  0.285873D+01 -0.236361D+01  0.246017D-01
      2   0.714707D+00  0.210581D+01  0.137041D+01 -0.267795D+01 -0.739553D+00
      3  -0.382397D-01 -0.301667D+01 -0.143963D+01  0.230527D+01  0.117287D+01
               261           262           263           264           265 
      1  -0.122233D+02  0.472694D+01 -0.422800D+01 -0.329049D+01 -0.440198D+01
      2  -0.204354D+01  0.328287D+01 -0.108574D+01  0.653102D+00 -0.479578D+01
      3   0.264313D+01  0.749875D+01 -0.609471D+01 -0.367795D+01 -0.661264D+01
               266           267           268           269           270 
      1   0.570896D+01  0.203769D+01 -0.218973D+01  0.228399D+01  0.272552D+01
      2  -0.552979D+00  0.485352D+00  0.601487D+00 -0.615857D+00 -0.116182D+01
      3   0.669352D+01  0.368917D+01 -0.208370D+01  0.815504D+00  0.303095D+01
               271           272           273           274           275 
      1   0.151656D+01  0.180875D+01  0.718136D+00 -0.423007D+00 -0.430583D+00
      2   0.542180D+00  0.253939D+01 -0.581941D+01  0.153965D+01 -0.175554D+01
      3   0.207522D+01  0.250723D+01 -0.280937D+01  0.140991D+01 -0.128904D+01
               276           277           278           279           280 
      1  -0.771108D+00  0.394384D-01  0.147579D+01  0.424366D+01  0.732544D+00
      2   0.286852D+01 -0.163116D+01  0.299557D+01 -0.120656D+02  0.401345D+01
      3   0.185521D+01 -0.120593D+00  0.243878D+01 -0.251248D+01 -0.286279D+01
               281           282           283           284           285 
      1   0.685642D-01  0.140770D+00  0.136840D+01  0.533336D+01  0.659805D+00
      2  -0.520703D+00  0.370521D+00 -0.489256D+00  0.628123D+01  0.827488D+01
      3  -0.874184D+00 -0.534454D+00 -0.141353D+01 -0.162346D+02 -0.765170D+01
               286           287           288           289           290 
      1   0.140382D+00  0.305667D+01  0.118701D+01 -0.126488D+01  0.156532D+01
      2  -0.348957D+00  0.519648D+01  0.640862D+01 -0.136805D+01 -0.253878D+00
      3  -0.121546D+01 -0.587332D+01 -0.588587D+01  0.427474D+01 -0.642732D+01
               291           292           293           294           295 
      1  -0.575156D-01  0.166787D+01 -0.140139D+01 -0.871798D-01 -0.351591D-01
      2   0.580014D+01  0.451341D+01  0.111629D+01 -0.121381D+01  0.248316D+01
      3   0.200311D+01 -0.297831D+01  0.464551D+01 -0.336415D+01 -0.319477D+00
               296           297           298           299           300 
      1   0.132357D+01  0.606451D-01 -0.126200D+01 -0.156022D+01  0.324484D-01
      2  -0.158325D+01  0.278362D+01  0.134708D+01 -0.248937D+00  0.579396D+01
      3  -0.313295D+01  0.999737D+00 -0.426640D+01 -0.644105D+01  0.198907D+01
               301           302           303           304           305 
      1  -0.169178D+01 -0.140981D+01 -0.972737D-01  0.268767D-01  0.131160D+01
      2   0.453439D+01 -0.109882D+01  0.124092D+01  0.248079D+01  0.159726D+01
      3  -0.299906D+01 -0.470391D+01  0.336885D+01 -0.324417D+00  0.312573D+01
               306           307           308           309           310 
      1   0.685042D-01  0.746400D+00 -0.966211D-01 -0.146255D+00 -0.139247D+01
      2  -0.275987D+01 -0.400272D+01 -0.497351D+00  0.416417D+00 -0.463699D+00
      3  -0.100312D+01  0.286087D+01 -0.959302D+00 -0.576056D+00 -0.150793D+01
               311           312           313           314           315 
      1   0.533300D+01  0.675993D+00 -0.155629D+00  0.306717D+01  0.120042D+01
      2  -0.625179D+01 -0.827026D+01 -0.313647D+00 -0.517963D+01 -0.640259D+01
      3   0.162288D+02  0.764438D+01 -0.124807D+01  0.587017D+01  0.588098D+01
               316           317           318           319           320 
      1  -0.155808D+01 -0.715560D+00  0.189472D+01 -0.836714D+00  0.123853D+00
      2  -0.148186D+01  0.117562D+01 -0.259381D+01 -0.363537D+00 -0.155678D+01
      3  -0.178748D+01 -0.753584D+00 -0.377418D+00 -0.409019D-01 -0.575340D+00
               321           322           323           324           325 
      1   0.170737D+01 -0.160695D+01  0.620592D+00  0.731281D+01  0.540353D+00
      2  -0.823650D+00 -0.165376D+01  0.276255D+01 -0.145388D+02 -0.145384D+01
      3   0.171238D+01 -0.248849D+01  0.142641D+01 -0.144400D+01 -0.634983D+00
               326           327           328           329           330 
      1   0.980695D+00 -0.792346D+00 -0.226556D+01 -0.104805D+02  0.550219D-01
      2   0.658763D+00  0.151916D+01  0.299972D+01 -0.622889D+00  0.948559D+00
      3   0.468896D+00 -0.536170D+00  0.112927D+01 -0.127121D+02  0.157519D+01
               331           332           333 
      1  -0.225489D+01 -0.225568D+01  0.105378D+00
      2   0.189845D+01  0.187832D+01 -0.905028D+00
      3   0.280173D+00 -0.203385D+01 -0.511966D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.251312D+02  0.264771D+02 -0.228581D+02  0.322662D+02 -0.367799D+01
      2   0.163213D+02 -0.153434D+02  0.113817D+02 -0.187931D+02  0.365714D+01
      3   0.880993D+01 -0.111337D+02  0.114764D+02 -0.134731D+02  0.208486D-01
      4   0.235256D+02 -0.660934D+01  0.425430D+01 -0.898050D+01 -0.112998D+02
      5  -0.224263D+02  0.573920D+01 -0.794275D+01  0.103851D+02 -0.189529D+02
      6   0.763000D+01 -0.575250D+00 -0.737778D+00 -0.470964D+01 -0.493398D+01
                 6             7             8             9            10 
      1   0.794225D+01 -0.148756D+02  0.526198D+01 -0.445692D+01 -0.247578D+02
      2  -0.489342D+01  0.657180D+01 -0.344362D+01  0.385241D+00  0.159958D+02
      3  -0.304882D+01  0.830379D+01 -0.181836D+01  0.407168D+01  0.876204D+01
      4  -0.163241D+02  0.461231D+01 -0.133894D+02 -0.353403D+01 -0.236476D+02
      5  -0.556390D+01 -0.810991D+01 -0.361474D+01  0.340315D+01  0.222743D+02
      6  -0.621659D+01  0.561722D-01 -0.563288D+01 -0.155015D+01  0.766089D+01
                11            12            13            14            15 
      1  -0.265139D+02  0.227852D+02 -0.323491D+02 -0.412358D+01  0.782338D+01
      2   0.153235D+02 -0.112982D+02  0.187992D+02  0.391990D+01 -0.478529D+01
      3   0.111904D+02 -0.114870D+02  0.135498D+02  0.203678D+00 -0.303809D+01
      4  -0.697406D+01  0.426009D+01 -0.942093D+01  0.112163D+02  0.163979D+02
      5   0.566499D+01 -0.786053D+01  0.102975D+02  0.190465D+02  0.558068D+01
      6   0.655040D+00  0.761979D+00  0.481786D+01 -0.482920D+01 -0.616770D+01
                16            17            18            19            20 
      1   0.147830D+02  0.512732D+01 -0.439095D+01  0.188887D+02  0.139414D+02
      2  -0.648338D+01 -0.332718D+01  0.371719D+00 -0.189769D+02 -0.102875D+02
      3  -0.829963D+01 -0.180014D+01  0.401923D+01  0.882111D-01 -0.365390D+01
      4   0.457410D+01  0.134450D+02  0.353385D+01  0.513692D+01 -0.998048D+00
      5  -0.805519D+01  0.362794D+01 -0.342690D+01 -0.122069D+02 -0.339173D+01
      6  -0.321185D-01 -0.561200D+01 -0.155052D+01 -0.781368D+01  0.139396D+01
                21            22            23            24            25 
      1  -0.133220D+02  0.588039D+01  0.328177D+01  0.169548D+01 -0.560319D+01
      2   0.122226D+02 -0.464383D+01 -0.987276D+01  0.476425D+00  0.591274D+01
      3   0.109936D+01 -0.123656D+01  0.659099D+01 -0.217190D+01 -0.309549D+00
      4  -0.100739D+01 -0.785134D+00 -0.124721D+02 -0.139296D+01 -0.854594D+00
      5   0.784980D+01 -0.178342D+01 -0.262118D+01  0.168873D+01  0.574510D+01
      6   0.169319D+01  0.119078D+00  0.490201D+01  0.316514D+01  0.131052D+00
                26            27            28            29            30 
      1  -0.529151D+00  0.119454D+02 -0.121929D+02 -0.524621D-02  0.211999D-01
      2  -0.579597D+00  0.444817D+01  0.274688D+01  0.950685D-04 -0.260832D-01
      3   0.110875D+01 -0.163935D+02  0.944600D+01  0.515114D-02  0.488327D-02
      4   0.514394D+00 -0.177627D+01 -0.124353D-02 -0.638378D+01 -0.489821D+01
      5  -0.523624D+00  0.790108D+01  0.184664D-01 -0.285203D+01 -0.221044D+01
      6   0.282247D+01  0.299773D+01 -0.257730D+01 -0.490865D-02  0.613403D-02
                31            32            33            34            35 
      1  -0.141572D-01  0.246859D+01 -0.507350D+01  0.175126D-01 -0.803328D+01
      2   0.124988D-01 -0.113411D+02  0.650083D+01 -0.224120D-01  0.879908D+01
      3   0.165842D-02  0.887247D+01 -0.142733D+01  0.489941D-02 -0.765803D+00
      4  -0.795460D+01  0.315320D-02 -0.233042D-01 -0.831153D+01 -0.151157D-01
      5  -0.253787D+01 -0.548012D-02 -0.721392D-02  0.535149D+01 -0.376505D-02
      6  -0.384780D-02  0.344799D+01 -0.189708D+01  0.860909D-02  0.415362D+01
                36            37            38            39            40 
      1  -0.282852D+00 -0.837461D+01  0.162248D+01  0.108948D+02  0.292571D+00
      2  -0.340580D+00  0.128184D+02 -0.371976D+01 -0.827290D+01  0.136529D+01
      3   0.623433D+00 -0.444376D+01  0.209728D+01 -0.262189D+01 -0.165786D+01
      4  -0.419643D-02  0.128646D+02  0.721624D+01 -0.891907D+01  0.115470D+02
      5   0.134744D-01  0.286714D+01 -0.119988D+02  0.227167D+01 -0.115178D+02
      6  -0.813006D+00 -0.423287D+01 -0.571383D+01  0.670966D+01 -0.480646D+01
                41            42            43            44            45 
      1  -0.688401D+01 -0.545825D+01  0.920879D+01 -0.557467D+01  0.643123D+01
      2   0.617163D+01 -0.488881D+01 -0.485449D+01 -0.894280D+00  0.302765D+01
      3   0.712381D+00  0.103471D+02 -0.435430D+01  0.646895D+01 -0.945887D+01
      4   0.103690D+02 -0.104219D+02 -0.303126D+01 -0.618444D+01  0.293359D+01
      5  -0.515392D+01  0.374480D+01  0.123678D+01  0.117254D+01  0.182954D+01
      6  -0.346889D+01  0.746082D+00  0.440382D+01 -0.342789D+00  0.697358D+01
                46            47            48            49            50 
      1  -0.823861D+01  0.121361D+01 -0.138491D+02  0.247563D+01 -0.121160D+01
      2   0.196137D+01 -0.196681D+01  0.182005D+02 -0.770393D+01 -0.164092D+00
      3   0.627724D+01  0.753198D+00 -0.435138D+01  0.522830D+01  0.137569D+01
      4  -0.142173D+02 -0.876537D+01  0.911970D+01 -0.164991D+02 -0.127199D+02
      5  -0.328490D+01  0.137080D+02 -0.897451D+01  0.144753D+02  0.135698D+02
      6   0.222211D+01  0.157509D+02 -0.986801D+01  0.161260D+02  0.130286D+02
                51            52            53            54            55 
      1   0.629426D+01 -0.162941D+02  0.737758D+01 -0.945518D+01  0.430618D+01
      2   0.787679D+01  0.203726D+02  0.499795D+01  0.454456D+01 -0.441275D+01
      3  -0.141710D+02 -0.407853D+01 -0.123755D+02  0.491062D+01  0.106574D+00
      4   0.215509D+02  0.135466D+02  0.252952D+02 -0.118867D+02  0.309054D+01
      5  -0.194584D+01 -0.136860D+02 -0.454571D+01  0.148758D+01  0.147583D+01
      6  -0.551951D+01 -0.129235D+02 -0.578615D+01  0.243914D+01  0.484920D+01
                56            57            58            59            60 
      1   0.501200D+01  0.109036D+02  0.226651D+01  0.185825D+02  0.384305D+01
      2  -0.796294D+01 -0.206708D+02 -0.809502D+00 -0.278745D+02 -0.154601D+02
      3   0.295094D+01  0.976713D+01 -0.145701D+01  0.929204D+01  0.116170D+02
      4  -0.969999D+01  0.124442D+00 -0.308707D+01 -0.127122D+02 -0.212736D+02
      5  -0.327348D+01 -0.109774D+01 -0.352534D+01 -0.953061D+01 -0.437881D+01
      6  -0.188140D+02  0.364228D+01 -0.180005D+02 -0.210952D+02 -0.116682D+02
                61            62            63            64            65 
      1   0.139202D+02  0.888777D+01  0.107903D+02  0.228868D+01 -0.575737D+01
      2  -0.220757D+02 -0.196990D+02 -0.149722D+02 -0.119199D+01  0.576436D+01
      3   0.815557D+01  0.108112D+02  0.418190D+01 -0.109670D+01 -0.698956D-02
      4   0.205858D+01 -0.248607D+02  0.133449D+01  0.843603D+01  0.193320D+01
      5  -0.244793D+00 -0.399956D+01 -0.127455D+01  0.286358D+01 -0.304134D+01
      6   0.429056D+01 -0.174917D+02 -0.125706D+01 -0.699149D+01  0.866622D+01
                66            67            68            69            70 
      1  -0.127508D+01 -0.551442D+01 -0.117979D+02 -0.509790D+01 -0.237920D+01
      2   0.114164D+02  0.211866D+01  0.144485D+02  0.812909D+01  0.101227D+02
      3  -0.101413D+02  0.339576D+01 -0.265058D+01 -0.303119D+01 -0.774354D+01
      4  -0.280633D+01 -0.243826D+01  0.174841D+02  0.126855D+02 -0.309288D+01
      5  -0.376172D+01 -0.200518D+01  0.181668D+01  0.275306D+01 -0.250562D+01
      6   0.210907D-01  0.942697D+01  0.126726D+02  0.592295D+01 -0.143747D+01
                71            72            73            74            75 
      1  -0.217711D+01  0.125043D+01  0.189675D+02 -0.138841D+02  0.132797D+02
      2   0.152976D+01  0.684431D+01 -0.190213D+02  0.102662D+02 -0.122244D+02
      3   0.647344D+00 -0.809474D+01  0.537980D-01  0.361793D+01 -0.105533D+01
      4   0.629983D+01 -0.753270D+00 -0.496378D+01 -0.117086D+01 -0.924030D+00
      5   0.181796D+01 -0.553983D+01  0.122428D+02 -0.337689D+01  0.789399D+01
      6   0.299133D+01 -0.507341D+01 -0.775217D+01 -0.145336D+01 -0.169552D+01
                76            77            78            79            80 
      1  -0.580525D+01  0.307170D+01  0.171325D+01  0.559294D+01 -0.545440D+00
      2   0.459495D+01 -0.971151D+01  0.387667D+00 -0.591981D+01 -0.641934D+00
      3   0.121030D+01  0.663981D+01 -0.210092D+01  0.326871D+00  0.118737D+01
      4  -0.913199D+00  0.125103D+02  0.140968D+01 -0.818376D+00 -0.501918D+00
      5  -0.174639D+01  0.259707D+01 -0.163274D+01  0.576501D+01  0.563174D+00
      6  -0.181034D+00  0.487241D+01  0.315207D+01 -0.129567D+00  0.280902D+01
                81            82            83            84            85 
      1   0.119982D+02 -0.822871D+01 -0.161437D+01 -0.108564D+02 -0.316595D+00
      2   0.442192D+01  0.127075D+02  0.378436D+01  0.828886D+01 -0.125510D+01
      3  -0.164201D+02 -0.447882D+01 -0.216999D+01  0.256756D+01  0.157170D+01
      4   0.182597D+01 -0.129980D+02  0.722248D+01 -0.904372D+01  0.115520D+02
      5  -0.788465D+01 -0.279505D+01 -0.120661D+02  0.224650D+01 -0.115709D+02
      6   0.302905D+01 -0.427322D+01  0.571881D+01 -0.673329D+01  0.479232D+01
                86            87            88            89            90 
      1  -0.680351D+01 -0.559879D+01 -0.920807D+01 -0.569242D+01  0.639537D+01
      2   0.613614D+01 -0.476948D+01  0.487607D+01 -0.795289D+00  0.297208D+01
      3   0.667370D+00  0.103683D+02  0.433200D+01  0.648771D+01 -0.936745D+01
      4  -0.103945D+02  0.104020D+02 -0.310997D+01  0.616311D+01 -0.292204D+01
      5   0.506907D+01 -0.377349D+01  0.119540D+01 -0.119486D+01 -0.183613D+01
      6  -0.342191D+01  0.672194D+00 -0.442737D+01 -0.387262D+00  0.695535D+01
                91            92            93            94            95 
      1  -0.835291D+01 -0.125337D+01  0.137564D+02 -0.242854D+01 -0.134493D+01
      2   0.203819D+01  0.200391D+01 -0.181984D+02  0.764615D+01 -0.743067D-01
      3   0.631472D+01 -0.750540D+00  0.444201D+01 -0.521761D+01  0.141924D+01
      4   0.142542D+02 -0.880455D+01  0.936266D+01 -0.165600D+02  0.127255D+02
      5   0.316270D+01  0.138580D+02 -0.896671D+01  0.146182D+02 -0.134992D+02
      6   0.237112D+01 -0.157754D+02  0.980240D+01 -0.161338D+02  0.128685D+02
                96            97            98            99           100 
      1   0.654102D+01  0.161723D+02  0.766594D+01 -0.949691D+01  0.437536D+01
      2   0.763832D+01 -0.203113D+02  0.470622D+01  0.463274D+01 -0.450084D+01
      3  -0.141793D+02  0.413897D+01 -0.123722D+02  0.486417D+01  0.125481D+00
      4  -0.215363D+02  0.138061D+02 -0.252376D+02  0.117545D+02 -0.298597D+01
      5   0.191580D+01 -0.136873D+02  0.447495D+01 -0.151025D+01 -0.146431D+01
      6  -0.543621D+01  0.128263D+02 -0.568328D+01  0.244314D+01  0.466233D+01
               101           102           103           104           105 
      1  -0.493342D+01 -0.109374D+02 -0.222928D+01  0.183747D+02  0.359580D+01
      2   0.785795D+01  0.207736D+02  0.748538D+00 -0.275464D+02 -0.151149D+02
      3  -0.292453D+01 -0.983616D+01  0.148074D+01  0.917170D+01  0.115191D+02
      4  -0.985758D+01 -0.124841D+00 -0.316751D+01  0.127020D+02  0.213606D+02
      5  -0.340764D+01 -0.113247D+01 -0.364842D+01  0.957931D+01  0.445317D+01
      6   0.189571D+02 -0.349883D+01  0.181111D+02 -0.208522D+02 -0.117357D+02
               106           107           108           109           110 
      1  -0.139884D+02  0.861676D+01  0.108121D+02  0.229168D+01  0.578133D+01
      2   0.222027D+02 -0.193482D+02 -0.150448D+02 -0.123170D+01 -0.576540D+01
      3  -0.821429D+01  0.107314D+02  0.423272D+01 -0.105998D+01 -0.159294D-01
      4   0.177880D+01  0.250201D+02 -0.112564D+01 -0.841191D+01  0.201308D+01
      5  -0.266241D+00  0.412092D+01  0.130454D+01 -0.283694D+01 -0.300522D+01
      6  -0.411179D+01 -0.175913D+02 -0.133959D+01 -0.690958D+01 -0.875602D+01
               111           112           113           114           115 
      1   0.130794D+01  0.556871D+01 -0.115739D+02 -0.499694D+01  0.241292D+01
      2  -0.114516D+02 -0.216401D+01  0.141957D+02  0.794597D+01 -0.101483D+02
      3   0.101436D+02 -0.340471D+01 -0.262180D+01 -0.294902D+01  0.773542D+01
      4  -0.268533D+01 -0.237887D+01 -0.175536D+02 -0.127320D+02 -0.300290D+01
      5  -0.372627D+01 -0.197377D+01 -0.186818D+01 -0.279246D+01 -0.248358D+01
      6  -0.893144D-01 -0.949908D+01  0.125959D+02  0.594826D+01  0.138584D+01
               116           117           118           119           120 
      1  -0.213280D+01  0.124311D+01  0.323284D+02 -0.229006D+01  0.106393D+02
      2   0.142916D+01  0.689657D+01 -0.183629D+02  0.512208D+01 -0.744766D+01
      3   0.703642D+00 -0.813968D+01 -0.139655D+02 -0.283203D+01 -0.319168D+01
      4  -0.634750D+01  0.693888D+00  0.165836D+02  0.737677D+01  0.331072D+01
      5  -0.184735D+01  0.554396D+01  0.107918D+02 -0.173452D+01  0.950107D+01
      6   0.303199D+01 -0.501998D+01  0.515797D+01 -0.725262D+00  0.540064D+01
               121           122           123           124           125 
      1  -0.844779D+01  0.636974D+01 -0.427341D+01  0.173231D+02 -0.307383D+01
      2   0.749250D+01 -0.578067D+01  0.273472D+01 -0.128478D+02  0.461163D+01
      3   0.955284D+00 -0.589062D+00  0.153869D+01 -0.447526D+01 -0.153780D+01
      4   0.379108D+01 -0.241529D+00  0.214313D+00  0.752988D+01  0.219335D+01
      5  -0.335946D+01  0.250883D+01 -0.229426D+01  0.136690D+02  0.157136D+00
      6  -0.164289D+01  0.667322D+00  0.295607D+00  0.793569D+01  0.198313D+01
               126           127           128           129           130 
      1   0.952483D+01  0.146828D+02  0.711942D+01 -0.386248D+01  0.225182D+01
      2  -0.794439D+01  0.208064D+00  0.469937D+01 -0.958224D+00  0.112903D+02
      3  -0.158044D+01 -0.148908D+02 -0.118188D+02  0.482070D+01 -0.135421D+02
      4   0.580689D+01  0.298285D+02  0.242154D+02 -0.129188D+02  0.265443D+02
      5   0.125612D+02 -0.115649D+02 -0.961893D+01  0.101476D+02 -0.905061D+01
      6   0.790495D+01 -0.113407D+02 -0.972620D+01  0.845798D+01 -0.122278D+02
               131           132           133           134           135 
      1  -0.633001D+01  0.140439D+01 -0.234906D+01  0.153006D+01  0.280737D-01
      2   0.241984D+02 -0.765243D+01 -0.365488D+01 -0.851021D+01  0.253741D+01
      3  -0.178684D+02  0.624803D+01  0.600395D+01  0.698015D+01 -0.256548D+01
      4   0.335151D+02 -0.149762D+02 -0.204153D+02 -0.209479D+02  0.176159D+02
      5  -0.116580D+02  0.796301D+01  0.152695D+02  0.126605D+02 -0.149748D+02
      6  -0.173856D+02  0.127337D+02  0.150296D+02  0.172840D+02 -0.175926D+02
               136           137           138           139           140 
      1  -0.555738D+01  0.860485D+01 -0.381214D+01  0.507099D+01 -0.163033D+02
      2   0.841291D+01 -0.155278D+02  0.654005D+01 -0.835273D+01  0.270488D+02
      3  -0.285553D+01  0.692300D+01 -0.272791D+01  0.328174D+01 -0.107455D+02
      4  -0.147537D+02  0.856343D+01 -0.615731D+01  0.646984D+01 -0.487971D+01
      5   0.148299D+01 -0.442249D+00  0.145973D+01 -0.378831D+00  0.980644D+00
      6  -0.759598D+01  0.686281D+01 -0.755420D+01  0.459398D+01 -0.728952D+01
               141           142           143           144           145 
      1   0.463797D+01 -0.668051D+01  0.975962D+01 -0.880654D+01 -0.211573D+01
      2  -0.639188D+01  0.732642D+01 -0.137519D+02  0.975585D+01  0.857566D+01
      3   0.175391D+01 -0.645906D+00  0.399232D+01 -0.949301D+00 -0.645993D+01
      4   0.386876D+01 -0.869505D+01  0.610754D+01 -0.508312D+01  0.122526D+02
      5   0.429864D+00  0.174892D+01  0.518546D+00 -0.239000D+00  0.337139D+01
      6   0.830300D+01 -0.721232D+01  0.143295D+02 -0.154510D+02  0.573287D+01
               146           147           148           149           150 
      1  -0.254599D+01 -0.179066D+01 -0.421012D+01 -0.337052D+02 -0.116153D+02
      2   0.115333D+02  0.479452D+01  0.114558D+02  0.624609D+02  0.192137D+02
      3  -0.898728D+01 -0.300386D+01 -0.724563D+01 -0.287557D+02 -0.759843D+01
      4   0.196375D+02  0.673946D+01  0.134185D+02  0.268781D+02  0.972197D+01
      5   0.541516D+01  0.460512D+01  0.311504D+01  0.914907D+01  0.509976D+01
      6   0.809137D+01  0.457117D+01  0.732884D+01  0.272163D+02  0.170055D+02
               151           152           153           154           155 
      1  -0.329367D+01 -0.181263D+02 -0.126587D+02 -0.563946D+01 -0.865758D+01
      2   0.638348D+01  0.275764D+02  0.158681D+02  0.848743D+01  0.155856D+02
      3  -0.308982D+01 -0.945009D+01 -0.320936D+01 -0.284797D+01 -0.692803D+01
      4   0.702680D+01  0.161277D+02  0.924168D+01  0.146364D+02  0.855107D+01
      5   0.445215D+01  0.831349D+01  0.699749D+01 -0.143539D+01 -0.415566D+00
      6   0.613578D+01  0.265784D+02  0.200220D+02 -0.753155D+01 -0.686337D+01
               156           157           158           159           160 
      1   0.383766D+01 -0.510391D+01 -0.164718D+02  0.468728D+01  0.670853D+01
      2  -0.657234D+01  0.837266D+01  0.273274D+02 -0.647183D+01 -0.735741D+01
      3   0.273468D+01 -0.326875D+01 -0.108556D+02  0.178455D+01  0.648871D+00
      4  -0.608248D+01  0.648599D+01  0.480045D+01 -0.385061D+01 -0.859725D+01
      5   0.142639D+01 -0.358935D+00 -0.948874D+00 -0.465264D+00  0.171578D+01
      6   0.750028D+01 -0.459667D+01 -0.734939D+01  0.834939D+01  0.713361D+01
               161           162           163           164           165 
      1   0.985390D+01 -0.883550D+01 -0.204198D+01  0.252376D+01  0.179361D+01
      2  -0.138873D+02  0.982466D+01  0.855531D+01 -0.115863D+02 -0.483722D+01
      3   0.403337D+01 -0.989159D+00 -0.651333D+01  0.906254D+01  0.304360D+01
      4  -0.605453D+01  0.498654D+01 -0.124489D+02  0.197560D+02  0.684158D+01
      5  -0.574488D+00  0.300622D+00 -0.345435D+01  0.549869D+01  0.467312D+01
      6   0.143671D+02 -0.153983D+02  0.581601D+01 -0.820065D+01 -0.466631D+01
               166           167           168           169           170 
      1   0.422010D+01 -0.333486D+02 -0.115385D+02  0.331832D+01 -0.180052D+02
      2  -0.115281D+02  0.618938D+02  0.191087D+02 -0.644650D+01  0.274200D+02
      3   0.730803D+01 -0.285452D+02 -0.757014D+01  0.312819D+01 -0.941477D+01
      4   0.135231D+02 -0.270545D+02 -0.983788D+01  0.716261D+01 -0.163205D+02
      5   0.318129D+01 -0.923930D+01 -0.516614D+01  0.453488D+01 -0.843571D+01
      6  -0.742726D+01  0.271498D+02  0.170092D+02 -0.626781D+01  0.265880D+02
               171           172           173           174           175 
      1  -0.126188D+02  0.324232D+02  0.237821D+01 -0.106321D+02  0.855818D+01
      2   0.158005D+02 -0.184594D+02 -0.514505D+01  0.745991D+01 -0.753580D+01
      3  -0.318168D+01 -0.139638D+02  0.276684D+01  0.317219D+01 -0.102238D+01
      4  -0.940044D+01 -0.163963D+02  0.733212D+01  0.321668D+01  0.377385D+01
      5  -0.712285D+01 -0.107688D+02 -0.178823D+01  0.949497D+01 -0.340431D+01
      6   0.201045D+02  0.509032D+01  0.744689D+00 -0.535010D+01  0.165814D+01
               176           177           178           179           180 
      1   0.643574D+01 -0.431715D+01 -0.173413D+02 -0.314274D+01  0.955094D+01
      2  -0.585713D+01  0.275814D+01  0.128808D+02  0.465178D+01 -0.797960D+01
      3  -0.578610D+00  0.155902D+01  0.446050D+01 -0.150904D+01 -0.157135D+01
      4   0.358453D+00 -0.220895D+00  0.737643D+01 -0.217786D+01 -0.570500D+01
      5  -0.253353D+01  0.233961D+01  0.136683D+02 -0.863216D-01 -0.125520D+02
      6   0.656339D+00  0.269858D+00 -0.786369D+01  0.193914D+01  0.782667D+01
               181           182           183           184           185 
      1   0.149437D+02 -0.721621D+01  0.394617D+01 -0.236684D+01 -0.612158D+01
      2   0.661027D-01 -0.463867D+01  0.903758D+00 -0.112137D+02  0.239455D+02
      3  -0.150098D+02  0.118549D+02 -0.484993D+01  0.135805D+02 -0.178240D+02
      4  -0.299858D+02  0.242569D+02 -0.129652D+02  0.266261D+02 -0.334962D+02
      5   0.116626D+02 -0.965629D+01  0.101921D+02 -0.909711D+01  0.116471D+02
      6  -0.113751D+02  0.971698D+01 -0.845745D+01  0.122159D+02 -0.172580D+02
               186           187           188           189           190 
      1   0.130100D+01  0.248459D+01  0.137544D+01  0.153249D+00  0.205895D+02
      2  -0.753879D+01  0.354788D+01 -0.834121D+01  0.242253D+01 -0.168927D+02
      3   0.623779D+01 -0.603246D+01  0.696578D+01 -0.257578D+01 -0.369682D+01
      4   0.149591D+02 -0.204830D+02  0.209022D+02 -0.176053D+02  0.141370D+01
      5  -0.796605D+01  0.153452D+02 -0.126552D+02  0.150089D+02  0.159369D+02
      6   0.126644D+02 -0.150159D+02  0.171713D+02 -0.175062D+02  0.759664D+00
               191           192           193           194           195 
      1   0.533930D+01  0.801162D+01  0.817042D+01  0.560644D+01  0.395389D+01
      2  -0.703054D+01 -0.969667D+01 -0.907905D+01 -0.625051D+01 -0.639615D+01
      3   0.169124D+01  0.168505D+01  0.908634D+00  0.644075D+00  0.244226D+01
      4   0.656504D+01  0.158699D+01  0.130174D+01  0.748537D+01  0.616559D+00
      5   0.439401D+01  0.108452D+02  0.110948D+02  0.295340D+01  0.771154D+01
      6   0.128328D+01 -0.599161D+00  0.105984D+01  0.266764D+01  0.508232D+00
               196           197           198           199           200 
      1   0.344075D+01  0.128015D+01  0.210365D+01 -0.257390D+01 -0.241767D+01
      2  -0.691975D+01 -0.211733D+01 -0.810757D+01 -0.163453D+01  0.138776D+01
      3   0.347899D+01  0.837174D+00  0.600391D+01  0.420843D+01  0.102991D+01
      4   0.299755D+01  0.382315D+00  0.210212D+01  0.628757D+01 -0.285044D+01
      5   0.804666D+01  0.367487D+01  0.889843D+01 -0.244804D+01  0.215266D+01
      6   0.396660D+00  0.143515D+01 -0.652821D+00 -0.109290D-01 -0.329816D+01
               201           202           203           204           205 
      1   0.726228D+01 -0.452689D+00 -0.512392D+01  0.635455D+01  0.245503D+01
      2   0.112483D+01 -0.446617D+00  0.201288D+01 -0.919011D+00 -0.145274D+01
      3  -0.838711D+01  0.899306D+00  0.311105D+01 -0.543554D+01 -0.100229D+01
      4   0.368488D+00  0.143916D+01 -0.172671D+01  0.503617D+00 -0.319828D+01
      5  -0.221620D+00  0.306214D+00  0.105260D+01 -0.189460D+01  0.442856D+01
      6   0.590027D+01 -0.430826D+00 -0.598371D+01  0.886319D+01 -0.494382D+00
               206           207           208           209           210 
      1   0.558602D+01 -0.183941D+02 -0.252869D+00 -0.768585D+01 -0.456745D+01
      2  -0.249732D-01 -0.114756D+02 -0.178671D+00  0.968682D+01  0.201695D+01
      3  -0.556104D+01  0.298697D+02  0.431540D+00 -0.200098D+01  0.255049D+01
      4   0.313006D+01  0.536787D+00  0.176778D+02  0.779755D+01  0.839251D+01
      5  -0.233442D+01  0.113824D+02  0.913242D+01  0.577464D+01  0.574164D+01
      6   0.740550D+01 -0.176302D+02  0.957542D+01  0.112363D+02  0.102248D+02
               211           212           213           214           215 
      1  -0.210596D+01 -0.313177D+01 -0.185662D+01 -0.164105D+01 -0.143933D+01
      2   0.291701D+01  0.684597D+01  0.152729D+01 -0.743008D+00 -0.132615D+01
      3  -0.811055D+00 -0.371420D+01  0.329333D+00  0.238406D+01  0.276548D+01
      4   0.800196D+01  0.769742D+01  0.502900D+01  0.438775D+01  0.413094D+01
      5   0.292987D+01  0.323446D+01  0.230280D+01  0.466612D+01  0.224871D+01
      6   0.553003D+01  0.512999D+01  0.544609D+01  0.556302D+01  0.502447D+01
               216           217           218           219           220 
      1  -0.405093D+01 -0.513563D+00  0.331640D+01  0.243715D+01  0.285230D+00
      2  -0.188947D+01 -0.368926D+01 -0.413273D+01  0.631439D+01 -0.132655D+01
      3   0.594039D+01  0.420283D+01  0.816339D+00 -0.875154D+01  0.104132D+01
      4   0.554096D+01 -0.355158D+01  0.438497D+01  0.450214D+01  0.487038D+00
      5   0.371238D+01 -0.489613D+01  0.186960D+01  0.847980D+01  0.284348D+00
      6   0.844342D+01  0.440190D+01 -0.312014D+01 -0.711679D+01 -0.575093D-01
               221           222           223           224           225 
      1   0.289498D+01  0.165398D+01  0.183289D+01 -0.495706D+01 -0.120017D+02
      2  -0.605752D+01  0.234870D+01  0.357998D+01  0.291758D+01 -0.163929D+02
      3   0.316254D+01 -0.400268D+01 -0.541287D+01  0.203948D+01  0.283946D+02
      4   0.212135D+01  0.756633D+00  0.358062D+01 -0.203214D+01 -0.288621D+01
      5  -0.134213D+01  0.954024D+00  0.561212D+01 -0.122532D+01 -0.996020D+01
      6  -0.203856D+01  0.711936D+00 -0.325570D+01  0.650632D+01  0.189191D+02
               226           227           228           229           230 
      1  -0.940275D+00 -0.412650D+00 -0.131883D+01 -0.573128D+01 -0.116472D+02
      2   0.436411D+01 -0.238055D+01  0.172040D+01  0.142678D+01  0.211512D+02
      3  -0.342384D+01  0.279320D+01 -0.401567D+00  0.430450D+01 -0.950402D+01
      4  -0.323443D+01  0.529626D+01  0.145739D+00  0.858100D+01 -0.213343D+02
      5  -0.152798D+01 -0.309236D+00  0.182428D-01 -0.494635D+01  0.280697D+01
      6   0.218115D+00  0.462799D+00 -0.219270D+00  0.388435D+01 -0.123036D+02
               231           232           233           234           235 
      1   0.158764D+01 -0.536021D+01  0.219019D+01 -0.422369D+01 -0.265444D+01
      2  -0.246883D+00  0.362101D+01  0.906646D+00  0.232755D+01 -0.156435D+00
      3  -0.134075D+01  0.173920D+01 -0.309683D+01  0.189614D+01  0.281088D+01
      4   0.443367D+01  0.172710D+01 -0.221769D+01 -0.205319D+01  0.940576D+00
      5  -0.465023D+01 -0.125368D+01 -0.188211D+01  0.718269D-01  0.140248D+00
      6   0.549592D+01 -0.174525D-01  0.274455D+01 -0.200473D+01  0.127040D+01
               236           237           238           239           240 
      1   0.932326D+00  0.359822D+01  0.371844D+01 -0.351993D+01  0.105827D+01
      2  -0.174187D+01  0.107696D+01 -0.380687D+01  0.723346D+00 -0.329198D+01
      3   0.809547D+00 -0.467518D+01  0.884299D-01  0.279659D+01  0.223372D+01
      4  -0.555146D+00  0.165876D+00  0.826973D+00 -0.876281D+00  0.235906D+01
      5   0.121988D+01  0.187659D+01  0.180069D+01  0.154867D+01  0.173258D+01
      6  -0.794283D+00  0.184733D+01  0.917650D-01 -0.198599D+01  0.466158D+01
               241           242           243           244           245 
      1   0.396664D+01  0.393198D+01 -0.209260D+02 -0.186011D+00  0.764629D+01
      2  -0.606006D+01  0.914820D+00 -0.163035D+02 -0.245794D+00 -0.966445D+01
      3   0.209342D+01 -0.484680D+01  0.372295D+02  0.431804D+00  0.201816D+01
      4  -0.152915D+01  0.343315D+01 -0.267756D+01 -0.177401D+02  0.783066D+01
      5   0.687053D+01 -0.405296D+01  0.219689D+02 -0.919291D+01  0.579848D+01
      6  -0.152969D+01  0.541738D+01 -0.102223D+02  0.962064D+01 -0.112108D+02
               246           247           248           249           250 
      1   0.452652D+01  0.206583D+01 -0.304813D+01 -0.181095D+01  0.162811D+01
      2  -0.197061D+01 -0.289171D+01  0.674615D+01  0.148513D+01  0.770119D+00
      3  -0.255591D+01  0.825884D+00 -0.369802D+01  0.325816D+00 -0.239823D+01
      4   0.844922D+01  0.798071D+01 -0.768429D+01 -0.501732D+01  0.441652D+01
      5   0.579539D+01  0.292834D+01 -0.322368D+01 -0.229969D+01  0.469808D+01
      6  -0.102392D+02 -0.550943D+01  0.506229D+01  0.541376D+01 -0.557364D+01
               251           252           253           254           255 
      1  -0.141513D+01 -0.402633D+01 -0.525659D+00 -0.336746D+01 -0.247957D+01
      2  -0.135123D+01 -0.192144D+01 -0.368761D+01  0.417359D+01 -0.629979D+01
      3   0.276636D+01  0.594777D+01  0.421327D+01 -0.806129D+00  0.877936D+01
      4  -0.412049D+01 -0.555401D+01  0.356282D+01  0.439113D+01  0.453719D+01
      5  -0.225224D+01 -0.374620D+01  0.489319D+01  0.188217D+01  0.847982D+01
      6   0.501665D+01  0.845513D+01  0.442600D+01  0.316104D+01  0.717947D+01
               256           257           258           259           260 
      1  -0.305590D+00  0.289608D+01  0.163578D+01 -0.184411D+01 -0.499167D+01
      2   0.134327D+01 -0.604477D+01  0.230845D+01 -0.357798D+01  0.291053D+01
      3  -0.103768D+01  0.314869D+01 -0.394422D+01  0.542209D+01  0.208113D+01
      4   0.509925D+00 -0.205901D+01 -0.737657D+00  0.359472D+01  0.202605D+01
      5   0.297735D+00  0.135979D+01 -0.921285D+00  0.560703D+01  0.123485D+01
      6   0.869842D-01 -0.199958D+01  0.751510D+00  0.327339D+01  0.654871D+01
               261           262           263           264           265 
      1  -0.120216D+02  0.207252D+02 -0.536628D+01 -0.802437D+01 -0.817144D+01
      2  -0.163397D+02 -0.169701D+02  0.704915D+01  0.968701D+01  0.905349D+01
      3   0.283613D+02 -0.375506D+01 -0.168287D+01 -0.166264D+01 -0.882058D+00
      4   0.293079D+01 -0.134299D+01  0.656783D+01  0.152905D+01  0.128288D+01
      5   0.991878D+01 -0.159540D+02  0.434993D+01  0.108136D+02  0.110376D+02
      6   0.189959D+02  0.726518D+00 -0.128058D+01  0.626627D+00 -0.103662D+01
               266           267           268           269           270 
      1   0.562831D+01  0.393043D+01 -0.344083D+01  0.126699D+01  0.211623D+01
      2  -0.623140D+01 -0.633503D+01  0.689485D+01 -0.207492D+01 -0.806208D+01
      3   0.603091D+00  0.240460D+01 -0.345402D+01  0.807926D+00  0.594585D+01
      4  -0.743662D+01 -0.566347D+00  0.297703D+01 -0.343573D+00 -0.206952D+01
      5  -0.289352D+01 -0.763994D+01  0.800574D+01 -0.364372D+01 -0.882059D+01
      6   0.264747D+01  0.475143D+00 -0.381638D+00  0.141180D+01 -0.667121D+00
               271           272           273           274           275 
      1  -0.252570D+01  0.241278D+01 -0.725698D+01  0.435069D+00 -0.509039D+01
      2  -0.168451D+01 -0.141244D+01 -0.112615D+01  0.443816D+00  0.199071D+01
      3   0.421020D+01 -0.100034D+01  0.838313D+01 -0.878885D+00  0.309968D+01
      4  -0.627391D+01 -0.286184D+01  0.354883D+00  0.140462D+01  0.169564D+01
      5   0.242623D+01  0.215714D+01 -0.207122D+00  0.322742D+00 -0.102949D+01
      6   0.295596D-03  0.329527D+01 -0.588909D+01  0.437230D+00 -0.593285D+01
               276           277           278           279           280 
      1   0.629170D+01 -0.243565D+01  0.556063D+01 -0.183902D+02  0.660945D+01
      2  -0.919691D+00  0.144844D+01 -0.396060D-01 -0.115574D+02 -0.345210D+01
      3  -0.537201D+01  0.987217D+00 -0.552102D+01  0.299476D+02 -0.315735D+01
      4  -0.490046D+00 -0.321060D+01 -0.314632D+01 -0.551403D+00  0.470194D+01
      5   0.186207D+01  0.444246D+01  0.233275D+01 -0.114081D+02  0.815894D+01
      6   0.880655D+01  0.514290D+00  0.738255D+01 -0.176355D+02  0.219512D+01
               281           282           283           284           285 
      1   0.368333D+01  0.683333D+01  0.752932D+01 -0.553972D+00 -0.200066D+01
      2  -0.138413D+01 -0.373355D+01 -0.379868D+01  0.360360D+01 -0.224597D+00
      3  -0.229920D+01 -0.309978D+01 -0.373064D+01 -0.304962D+01  0.222526D+01
      4   0.521468D+01  0.195354D+01  0.117581D+02  0.246620D+02  0.126652D+02
      5   0.254106D+01  0.513819D+01  0.637974D+01  0.134395D+02  0.145462D+02
      6   0.775006D+00  0.729677D+00  0.440854D+01  0.120373D+02  0.830830D+01
               286           287           288           289           290 
      1   0.799930D+01 -0.189094D+01 -0.719409D+00  0.679810D+02 -0.171236D+02
      2  -0.608487D+01 -0.106624D+01 -0.384629D+01 -0.375787D+02  0.839968D+01
      3  -0.191443D+01  0.295717D+01  0.456570D+01 -0.304022D+02  0.872397D+01
      4   0.358765D+01  0.888419D+01  0.900994D+01 -0.219355D+02  0.131957D+02
      5   0.877725D+01  0.943913D+01  0.136838D+02  0.283408D+02 -0.753892D+01
      6   0.239047D+01  0.750483D+01  0.696797D+01 -0.481451D+01  0.298957D+01
               291           292           293           294           295 
      1   0.179318D+02 -0.273220D+02  0.135123D+02 -0.757182D+01  0.157203D+02
      2  -0.113966D+02  0.137651D+02 -0.583527D+01  0.496183D+01 -0.122898D+02
      3  -0.653516D+01  0.135569D+02 -0.767706D+01  0.260998D+01 -0.343051D+01
      4  -0.645012D+01  0.210234D+02 -0.136735D+02  0.912180D+01 -0.605870D+01
      5   0.171125D+02 -0.129396D+02  0.101005D+02 -0.764876D+01  0.218406D+02
      6  -0.189328D+01  0.573598D+01 -0.349188D+01  0.431025D+01 -0.326074D+01
               296           297           298           299           300 
      1  -0.393595D+01  0.122685D+02  0.677197D+02  0.172706D+02 -0.178034D+02
      2   0.358688D+01 -0.990679D+01 -0.373214D+02 -0.842839D+01  0.112784D+02
      3   0.349067D+00 -0.236175D+01 -0.303982D+02 -0.884224D+01  0.652496D+01
      4   0.587771D+01 -0.577766D+01  0.222572D+02  0.133585D+02 -0.650679D+01
      5  -0.621688D+01  0.134257D+02 -0.281377D+02 -0.757098D+01  0.170038D+02
      6   0.375571D+01 -0.284139D+01 -0.487003D+01 -0.301580D+01  0.193057D+01
               301           302           303           304           305 
      1   0.274596D+02  0.136252D+02 -0.755920D+01 -0.155987D+02 -0.393182D+01
      2  -0.137543D+02 -0.582108D+01  0.492300D+01  0.121669D+02  0.357226D+01
      3  -0.137052D+02 -0.780415D+01  0.263620D+01  0.343172D+01  0.359555D+00
      4   0.212652D+02  0.139159D+02 -0.917691D+01 -0.611936D+01 -0.591509D+01
      5  -0.129535D+02 -0.101430D+02  0.767672D+01  0.217309D+02  0.627042D+01
      6  -0.577670D+01 -0.355400D+01  0.432941D+01  0.332037D+01  0.378234D+01
               306           307           308           309           310 
      1   0.121967D+02  0.677425D+01 -0.371263D+01 -0.685069D+01 -0.762590D+01
      2  -0.981545D+01 -0.354732D+01  0.140635D+01  0.375635D+01  0.386783D+01
      3  -0.238129D+01 -0.322693D+01  0.230627D+01  0.309434D+01  0.375807D+01
      4   0.585288D+01 -0.476420D+01  0.531367D+01  0.198417D+01  0.118619D+02
      5  -0.133210D+02 -0.822838D+01  0.258623D+01  0.521125D+01  0.645443D+01
      6  -0.287962D+01  0.218881D+01 -0.817164D+00 -0.754090D+00 -0.444194D+01
               311           312           313           314           315 
      1  -0.330079D+00 -0.187658D+01 -0.803197D+01 -0.181559D+01 -0.620076D+00
      2   0.341160D+01 -0.319628D+00  0.612001D+01 -0.112258D+01 -0.391218D+01
      3  -0.308152D+01  0.219621D+01  0.191196D+01  0.293817D+01  0.453225D+01
      4  -0.246554D+02 -0.126722D+02  0.359411D+01 -0.888463D+01 -0.900956D+01
      5  -0.134628D+02 -0.145698D+02  0.883958D+01 -0.944617D+01 -0.137114D+02
      6   0.119450D+02  0.823367D+01 -0.240397D+01  0.745225D+01  0.690498D+01
               316           317           318           319           320 
      1  -0.261263D+01 -0.936790D+00 -0.358318D+01 -0.373568D+01 -0.353252D+01
      2  -0.191432D+00  0.173314D+01 -0.105524D+01  0.382818D+01  0.741002D+00
      3   0.280406D+01 -0.796349D+00  0.463841D+01 -0.925006D-01  0.279152D+01
      4  -0.950797D+00 -0.570969D+00  0.166175D+00  0.792045D+00  0.846837D+00
      5  -0.167197D+00  0.122025D+01  0.190720D+01  0.182227D+01 -0.153141D+01
      6   0.127728D+01  0.799159D+00 -0.184070D+01 -0.754315D-01 -0.196237D+01
               321           322           323           324           325 
      1   0.102308D+01 -0.395457D+01  0.389648D+01 -0.209141D+02 -0.100572D+01
      2  -0.333175D+01  0.606346D+01  0.900955D+00 -0.163278D+02  0.439286D+01
      3   0.230867D+01 -0.210889D+01 -0.479743D+01  0.372419D+02 -0.338715D+01
      4  -0.234578D+01 -0.154979D+01 -0.342830D+01  0.264062D+01  0.315259D+01
      5  -0.178785D+01  0.687921D+01  0.403515D+01 -0.219978D+02  0.154605D+01
      6   0.463414D+01  0.153772D+01  0.541199D+01 -0.102285D+02  0.236093D+00
               326           327           328           329           330 
      1   0.418064D+00  0.131101D+01  0.572213D+01 -0.118007D+02  0.164724D+01
      2   0.234223D+01 -0.171966D+01 -0.143970D+01  0.212895D+02 -0.313302D+00
      3  -0.276029D+01  0.408651D+00 -0.428244D+01 -0.948883D+01 -0.133393D+01
      4   0.520433D+01  0.168841D+00  0.854131D+01  0.212822D+02 -0.446203D+01
      5  -0.297147D+00  0.585848D-02 -0.493342D+01 -0.282275D+01  0.464384D+01
      6  -0.415121D+00  0.196804D+00 -0.386919D+01 -0.123862D+02  0.554338D+01
               331           332           333 
      1   0.533617D+01  0.221178D+01 -0.424391D+01
      2  -0.361058D+01  0.881144D+00  0.233183D+01
      3  -0.172559D+01 -0.309292D+01  0.191207D+01
      4   0.174276D+01  0.219294D+01  0.203382D+01
      5  -0.124520D+01  0.187108D+01 -0.894039D-01
      6   0.488755D-02  0.277079D+01 -0.202379D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 00:49:03 2021, MaxMem=  5637144576 cpu:          116033.6 elap:           14539.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.79340 -14.79338 -14.79338 -14.79337 -14.79332
 Alpha  occ. eigenvalues --  -14.79329 -10.61878 -10.61877 -10.61852 -10.61851
 Alpha  occ. eigenvalues --  -10.61831 -10.61806  -3.71486  -2.46838  -2.46832
 Alpha  occ. eigenvalues --   -2.46406  -1.37148  -1.36041  -1.36020  -1.33563
 Alpha  occ. eigenvalues --   -1.33548  -1.33481  -1.15629  -1.15430  -1.15424
 Alpha  occ. eigenvalues --   -1.03954  -1.03482  -1.03409  -0.96816  -0.96703
 Alpha  occ. eigenvalues --   -0.95966  -0.94779  -0.94741  -0.94633  -0.93605
 Alpha  occ. eigenvalues --   -0.93443  -0.92883  -0.87257  -0.87224  -0.86502
 Alpha  occ. eigenvalues --   -0.86350  -0.86028  -0.85809  -0.83952  -0.82932
 Alpha  occ. eigenvalues --   -0.82873  -0.79287  -0.79154  -0.78051  -0.77877
 Alpha  occ. eigenvalues --   -0.77713  -0.76824  -0.75050  -0.74235  -0.74175
 Alpha  occ. eigenvalues --   -0.71281  -0.71275  -0.71021
 Alpha virt. eigenvalues --   -0.47972  -0.47930  -0.40922  -0.38940  -0.38002
 Alpha virt. eigenvalues --   -0.37899  -0.35097  -0.34878  -0.34407  -0.32968
 Alpha virt. eigenvalues --   -0.32298  -0.31694  -0.31584  -0.30840  -0.29376
 Alpha virt. eigenvalues --   -0.28976  -0.28647  -0.28524  -0.27560  -0.27388
 Alpha virt. eigenvalues --   -0.27034  -0.26064  -0.25912  -0.25411  -0.25103
 Alpha virt. eigenvalues --   -0.24771  -0.24367  -0.23449  -0.23434  -0.23136
 Alpha virt. eigenvalues --   -0.22054  -0.21803  -0.21314  -0.21226  -0.21011
 Alpha virt. eigenvalues --   -0.20967  -0.20051  -0.20039  -0.19841  -0.19215
 Alpha virt. eigenvalues --   -0.18991  -0.18919  -0.18346  -0.18202  -0.17730
 Alpha virt. eigenvalues --   -0.16790  -0.16365  -0.16252  -0.15791  -0.15780
 Alpha virt. eigenvalues --   -0.14962  -0.14793  -0.14172  -0.13532  -0.12802
 Alpha virt. eigenvalues --   -0.12658  -0.12137  -0.11990  -0.11784  -0.11085
 Alpha virt. eigenvalues --   -0.10483  -0.10165  -0.09945  -0.09354  -0.09100
 Alpha virt. eigenvalues --   -0.08643  -0.08161  -0.07759  -0.07734  -0.07578
 Alpha virt. eigenvalues --   -0.06536  -0.06293  -0.06061  -0.05994  -0.05686
 Alpha virt. eigenvalues --   -0.05451  -0.04995  -0.04979  -0.04404  -0.04338
 Alpha virt. eigenvalues --   -0.03527  -0.03454  -0.03351  -0.03324  -0.02579
 Alpha virt. eigenvalues --   -0.02243  -0.02147  -0.01932  -0.01837  -0.01256
 Alpha virt. eigenvalues --   -0.00961  -0.00112  -0.00028   0.00231   0.00350
 Alpha virt. eigenvalues --    0.00534   0.00851   0.01646   0.01719   0.02216
 Alpha virt. eigenvalues --    0.02641   0.02660   0.03076   0.03949   0.04022
 Alpha virt. eigenvalues --    0.04631   0.04702   0.04966   0.05376   0.05630
 Alpha virt. eigenvalues --    0.05738   0.06003   0.06453   0.07289   0.07379
 Alpha virt. eigenvalues --    0.07576   0.07745   0.08009   0.08156   0.08692
 Alpha virt. eigenvalues --    0.08744   0.08862   0.08906   0.09295   0.10043
 Alpha virt. eigenvalues --    0.10047   0.10584   0.10878   0.11254   0.11651
 Alpha virt. eigenvalues --    0.11831   0.12095   0.12282   0.12318   0.13101
 Alpha virt. eigenvalues --    0.13852   0.14082   0.14651   0.14867   0.15411
 Alpha virt. eigenvalues --    0.15774   0.16071   0.16459   0.17159   0.17192
 Alpha virt. eigenvalues --    0.18041   0.18236   0.18491   0.18974   0.19296
 Alpha virt. eigenvalues --    0.19758   0.19944   0.21303   0.21511   0.21720
 Alpha virt. eigenvalues --    0.22650   0.22761   0.23157   0.23726   0.23935
 Alpha virt. eigenvalues --    0.24539   0.25053   0.25462   0.25736   0.26768
 Alpha virt. eigenvalues --    0.26974   0.27354   0.27470   0.27982   0.28117
 Alpha virt. eigenvalues --    0.28200   0.29041   0.29056   0.29064   0.29569
 Alpha virt. eigenvalues --    0.30132   0.30481   0.31020   0.31294   0.31456
 Alpha virt. eigenvalues --    0.31973   0.32121   0.32302   0.32505   0.32558
 Alpha virt. eigenvalues --    0.33101   0.33230   0.33707   0.33756   0.34210
 Alpha virt. eigenvalues --    0.34359   0.35004   0.35106   0.35591   0.36164
 Alpha virt. eigenvalues --    0.36266   0.36698   0.36990   0.37152   0.37363
 Alpha virt. eigenvalues --    0.38282   0.38393   0.38565   0.38963   0.39837
 Alpha virt. eigenvalues --    0.40137   0.40480   0.41080   0.41849   0.42303
 Alpha virt. eigenvalues --    0.42765   0.42858   0.43680   0.43797   0.45065
 Alpha virt. eigenvalues --    0.45439   0.45671   0.45898   0.46205   0.47587
 Alpha virt. eigenvalues --    0.47712   0.48045   0.48075   0.49493   0.49736
 Alpha virt. eigenvalues --    0.49807   0.50151   0.51018   0.51323   0.52186
 Alpha virt. eigenvalues --    0.52340   0.52799   0.53316   0.53830   0.55492
 Alpha virt. eigenvalues --    0.55506   0.56581   0.56668   0.56716   0.58588
 Alpha virt. eigenvalues --    0.58922   0.59669   0.59938   0.61031   0.62386
 Alpha virt. eigenvalues --    0.62720   0.63734   0.64121   0.65010   0.65742
 Alpha virt. eigenvalues --    0.66220   0.67109   0.68395   0.68766   0.68965
 Alpha virt. eigenvalues --    0.70305   0.70701   0.70933   0.72805   0.73138
 Alpha virt. eigenvalues --    0.74894   0.75155   0.76204   0.76540   0.77793
 Alpha virt. eigenvalues --    0.79329   0.80170   0.80182   0.81642   0.81707
 Alpha virt. eigenvalues --    0.83415   0.84205   0.85513   0.86198   0.87696
 Alpha virt. eigenvalues --    0.87748   0.89007   0.90975   0.91873   0.92035
 Alpha virt. eigenvalues --    0.92855   0.93085   0.95479   0.95862   0.96891
 Alpha virt. eigenvalues --    0.97161   0.98238   0.98913   0.99811   1.00280
 Alpha virt. eigenvalues --    1.01149   1.01522   1.02997   1.03100   1.05083
 Alpha virt. eigenvalues --    1.06768   1.06816   1.09937   1.11302   1.11967
 Alpha virt. eigenvalues --    1.12621   1.13966   1.15010   1.15087   1.16103
 Alpha virt. eigenvalues --    1.16570   1.17321   1.18144   1.18880   1.20060
 Alpha virt. eigenvalues --    1.20214   1.23734   1.24707   1.27532   1.27704
 Alpha virt. eigenvalues --    1.31307   1.33760   1.33843   1.34731   1.36969
 Alpha virt. eigenvalues --    1.37212   1.37666   1.40869   1.41351   1.41390
 Alpha virt. eigenvalues --    1.42110   1.42228   1.43688   1.44500   1.44820
 Alpha virt. eigenvalues --    1.46174   1.46798   1.46824   1.47050   1.47396
 Alpha virt. eigenvalues --    1.48732   1.49090   1.49424   1.50749   1.50770
 Alpha virt. eigenvalues --    1.52348   1.52772   1.55686   1.55710   1.57172
 Alpha virt. eigenvalues --    1.59177   1.59392   1.60622   1.62179   1.64322
 Alpha virt. eigenvalues --    1.65101   1.65319   1.65670   1.66720   1.67937
 Alpha virt. eigenvalues --    1.68111   1.69794   1.69885   1.70103   1.71915
 Alpha virt. eigenvalues --    1.72216   1.73487   1.74286   1.74304   1.75705
 Alpha virt. eigenvalues --    1.77471   1.78564   1.80310   1.80761   1.80932
 Alpha virt. eigenvalues --    1.83039   1.83281   1.84608   1.85753   1.86438
 Alpha virt. eigenvalues --    1.86698   1.88781   1.88987   1.90322   1.90967
 Alpha virt. eigenvalues --    1.91486   1.91765   1.94081   1.94486   1.96009
 Alpha virt. eigenvalues --    1.96716   1.97151   1.98782   1.98927   1.99911
 Alpha virt. eigenvalues --    2.01311   2.01338   2.02026   2.02422   2.03361
 Alpha virt. eigenvalues --    2.03692   2.05602   2.06339   2.07025   2.08362
 Alpha virt. eigenvalues --    2.08535   2.10801   2.10847   2.12705   2.14283
 Alpha virt. eigenvalues --    2.15948   2.17244   2.17449   2.20050   2.20254
 Alpha virt. eigenvalues --    2.21462   2.21686   2.22212   2.22311   2.23237
 Alpha virt. eigenvalues --    2.24805   2.25751   2.26084   2.26443   2.27408
 Alpha virt. eigenvalues --    2.27547   2.29640   2.29983   2.30609   2.32080
 Alpha virt. eigenvalues --    2.34077   2.34811   2.35627   2.35895   2.36454
 Alpha virt. eigenvalues --    2.37512   2.38442   2.39801   2.42028   2.42445
 Alpha virt. eigenvalues --    2.42507   2.45260   2.45389   2.45922   2.47455
 Alpha virt. eigenvalues --    2.47776   2.48586   2.48959   2.49813   2.50542
 Alpha virt. eigenvalues --    2.52216   2.53073   2.55810   2.55925   2.58140
 Alpha virt. eigenvalues --    2.58570   2.59665   2.61114   2.61442   2.61745
 Alpha virt. eigenvalues --    2.63029   2.63999   2.65380   2.65905   2.68841
 Alpha virt. eigenvalues --    2.69660   2.70709   2.71889   2.72668   2.74936
 Alpha virt. eigenvalues --    2.76534   2.76562   2.76675   2.80148   2.80190
 Alpha virt. eigenvalues --    2.81240   2.82521   2.84587   2.86898   2.87611
 Alpha virt. eigenvalues --    2.88893   2.89477   2.89820   2.92482   2.92942
 Alpha virt. eigenvalues --    2.93302   2.93585   2.94306   2.94417   2.96074
 Alpha virt. eigenvalues --    2.96229   2.96700   2.97491   2.98391   2.99039
 Alpha virt. eigenvalues --    2.99280   2.99765   3.00859   3.01927   3.03576
 Alpha virt. eigenvalues --    3.05295   3.05743   3.06300   3.06874   3.08704
 Alpha virt. eigenvalues --    3.09290   3.09630   3.10549   3.12191   3.12731
 Alpha virt. eigenvalues --    3.13365   3.17318   3.17992   3.19819   3.20000
 Alpha virt. eigenvalues --    3.20827   3.20870   3.22894   3.22942   3.31518
 Alpha virt. eigenvalues --    3.31830   3.33547   3.34593   3.35129   3.35286
 Alpha virt. eigenvalues --    3.44090   3.44555   3.46147   3.48402   3.50638
 Alpha virt. eigenvalues --    3.50851   3.51864   3.55478   3.55688   3.56426
 Alpha virt. eigenvalues --    3.57176   3.59625   3.66187   3.67628   3.68120
 Alpha virt. eigenvalues --    3.69831   3.71686   3.72074   3.74126   3.75866
 Alpha virt. eigenvalues --    3.76376   3.80028   3.80518   3.81175   3.89312
 Alpha virt. eigenvalues --    3.90777   3.91334   3.91614   3.92281   3.93003
 Alpha virt. eigenvalues --    3.94758   3.98847   3.98905   3.99477   3.99866
 Alpha virt. eigenvalues --    4.02222   4.02788   4.04441   4.08182   4.12464
 Alpha virt. eigenvalues --    4.13097   4.13110   4.15188   4.17249   4.17436
 Alpha virt. eigenvalues --    4.29773   4.29962   4.32263   4.34282   4.35532
 Alpha virt. eigenvalues --    4.35613   4.42775   4.42934   4.43176   4.46103
 Alpha virt. eigenvalues --    4.46607   4.47499   4.50165   4.51322   4.52251
 Alpha virt. eigenvalues --    4.52726   4.54745   4.56148   4.56960   4.58405
 Alpha virt. eigenvalues --    4.59237   4.60728   4.60929   4.65497   4.68074
 Alpha virt. eigenvalues --    4.68885   4.70624   4.72910   4.74942   4.76308
 Alpha virt. eigenvalues --    4.77570   4.78758   4.79951   4.82076   4.86517
 Alpha virt. eigenvalues --    4.87265   4.88065   4.90532   4.90719   4.91126
 Alpha virt. eigenvalues --    4.92197   4.92287   4.93950   4.94848   4.94945
 Alpha virt. eigenvalues --    5.08569   5.10432   5.11348   5.13206   5.16048
 Alpha virt. eigenvalues --    5.19905   5.20999   5.22222   5.24605   5.25394
 Alpha virt. eigenvalues --    5.27963   5.28792   5.50295   5.50360   5.51016
 Alpha virt. eigenvalues --    5.52297   5.52531   5.53317  22.24770  22.25516
 Alpha virt. eigenvalues --   22.26554  22.27485  22.30079  22.30917  30.46832
 Alpha virt. eigenvalues --   31.89229  31.99563  32.02345  32.04652  32.13608
 Alpha virt. eigenvalues --   32.13874 100.11898
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.880732  -0.110186   0.000664  -0.054625   0.002052   0.000546
     2  C   -0.110186   5.880611   0.191198  -0.054023   0.000577  -0.000711
     3  N    0.000664   0.191198   6.667326  -0.010314  -0.014097   0.002269
     4  Rh  -0.054625  -0.054023  -0.010314  17.259223  -0.046904  -0.079565
     5  N    0.002052   0.000577  -0.014097  -0.046904   6.779161   0.157764
     6  C    0.000546  -0.000711   0.002269  -0.079565   0.157764   5.997141
     7  C    0.002397   0.001121  -0.003104  -0.024888   0.022257  -0.196467
     8  N   -0.014267   0.020053  -0.032349  -0.054604  -0.078025   0.032154
     9  N    0.191559   0.000617  -0.054822  -0.010982  -0.020831  -0.020045
    10  N    0.000548   0.002060  -0.020773  -0.046909  -0.011105   0.024827
    11  C   -0.000745   0.000600  -0.020000  -0.079513   0.024718  -0.000612
    12  C    0.001169   0.002341   0.017603  -0.024416  -0.017617   0.004080
    13  N    0.020026  -0.014254  -0.023820  -0.054811  -0.022584  -0.004769
    14  H    0.000030   0.000059   0.000657   0.013851  -0.010490   0.298514
    15  H   -0.000055  -0.000001  -0.000043  -0.004220  -0.080669   0.321898
    16  H    0.002285  -0.003964   0.002411   0.008065   0.006868  -0.033997
    17  H   -0.000153   0.000872   0.000287  -0.002821  -0.015713   0.016320
    18  H   -0.003960   0.002261  -0.003363   0.007879  -0.000626   0.000259
    19  H    0.000868  -0.000148   0.001682  -0.002881  -0.000383  -0.000004
    20  H    0.000059   0.000032  -0.000487   0.013724  -0.010085  -0.004613
    21  H   -0.000004  -0.000054   0.000432  -0.004301   0.001280   0.001719
    22  H    0.000368  -0.000152   0.005770  -0.003932  -0.014519   0.017957
    23  H    0.000643  -0.000317  -0.003039   0.013280   0.003521   0.002726
    24  H    0.015054  -0.009208  -0.016876  -0.027078   0.002706  -0.000736
    25  H    0.000913  -0.001911   0.004087   0.025786  -0.002040  -0.002734
    26  H   -0.024246  -0.022701  -0.008071   0.013183  -0.014764  -0.006702
    27  H   -0.025769   0.027153  -0.009412  -0.017343  -0.002126  -0.007314
    28  H   -0.009203   0.014888  -0.012586  -0.027075  -0.005124   0.062248
    29  H   -0.001902   0.000905  -0.001231   0.025752  -0.013718  -0.040218
    30  H   -0.000155   0.000375  -0.001382  -0.003648   0.368612  -0.061942
    31  H   -0.000308   0.000641  -0.002263   0.013098   0.315905  -0.021526
    32  H    0.306928  -0.005347   0.013203   0.004423   0.001391   0.000371
    33  H    0.286627  -0.007803  -0.014198  -0.000782   0.000258   0.000105
    34  H   -0.007919   0.286932  -0.055425  -0.000753   0.000202   0.000124
    35  H   -0.005256   0.306640  -0.013465   0.004359   0.001323  -0.000689
    36  H    0.027019  -0.025555   0.370782  -0.017278  -0.002236   0.001401
    37  H   -0.022915  -0.024083   0.339944   0.013249  -0.001619   0.000774
               7          8          9         10         11         12
     1  C    0.002397  -0.014267   0.191559   0.000548  -0.000745   0.001169
     2  C    0.001121   0.020053   0.000617   0.002060   0.000600   0.002341
     3  N   -0.003104  -0.032349  -0.054822  -0.020773  -0.020000   0.017603
     4  Rh  -0.024888  -0.054604  -0.010982  -0.046909  -0.079513  -0.024416
     5  N    0.022257  -0.078025  -0.020831  -0.011105   0.024718  -0.017617
     6  C   -0.196467   0.032154  -0.020045   0.024827  -0.000612   0.004080
     7  C    5.974984   0.111647   0.017621  -0.017614   0.004009  -0.002807
     8  N    0.111647   6.775462  -0.024158  -0.022065  -0.004791   0.005004
     9  N    0.017621  -0.024158   6.669168  -0.014191   0.002309  -0.003169
    10  N   -0.017614  -0.022065  -0.014191   6.779246   0.156722   0.022758
    11  C    0.004009  -0.004791   0.002309   0.156722   5.999172  -0.197911
    12  C   -0.002807   0.005004  -0.003169   0.022758  -0.197911   5.975897
    13  N    0.004950  -0.011864  -0.032874  -0.077856   0.031882   0.112219
    14  H   -0.000418   0.005657  -0.000489  -0.010024  -0.004605   0.001594
    15  H   -0.030891  -0.007665   0.000423   0.001287   0.001691   0.000105
    16  H    0.334798  -0.027440  -0.003393  -0.000630   0.000257   0.000008
    17  H    0.262629  -0.035253   0.001683  -0.000360  -0.000010   0.000078
    18  H    0.000008   0.000271   0.002439   0.006831  -0.033980   0.334482
    19  H    0.000079   0.000095   0.000290  -0.015628   0.016605   0.262567
    20  H    0.001610   0.002037   0.000669  -0.010746   0.298870  -0.000282
    21  H    0.000100   0.000205  -0.000040  -0.080598   0.321803  -0.031163
    22  H   -0.007923  -0.008763  -0.001391   0.369230  -0.061763   0.044854
    23  H   -0.004512  -0.003861  -0.002285   0.315508  -0.021930  -0.009157
    24  H    0.001260  -0.002065  -0.012692  -0.005226   0.062529  -0.087334
    25  H    0.000731  -0.002614  -0.001276  -0.013655  -0.040275   0.024579
    26  H    0.010707  -0.009399   0.339487  -0.001627   0.000778  -0.000891
    27  H    0.006746   0.000888   0.371377  -0.002233   0.001400  -0.002285
    28  H   -0.086975   0.413623  -0.017014   0.002734  -0.000730   0.001258
    29  H    0.024469   0.313316   0.004158  -0.002115  -0.002732   0.000739
    30  H    0.044940  -0.010796   0.005867  -0.014653   0.018232  -0.008110
    31  H   -0.009495  -0.017241  -0.003093   0.003509   0.002723  -0.004488
    32  H    0.000154  -0.001110  -0.013803   0.001330  -0.000673   0.003619
    33  H    0.000260   0.000863  -0.055700   0.000203   0.000126  -0.000033
    34  H   -0.000033   0.002137  -0.014223   0.000257   0.000109   0.000261
    35  H    0.003622  -0.007718   0.013237   0.001377   0.000373   0.000139
    36  H   -0.002280  -0.002694  -0.009469  -0.002092  -0.007286   0.006700
    37  H   -0.000882   0.006562  -0.007944  -0.014745  -0.006732   0.010642
              13         14         15         16         17         18
     1  C    0.020026   0.000030  -0.000055   0.002285  -0.000153  -0.003960
     2  C   -0.014254   0.000059  -0.000001  -0.003964   0.000872   0.002261
     3  N   -0.023820   0.000657  -0.000043   0.002411   0.000287  -0.003363
     4  Rh  -0.054811   0.013851  -0.004220   0.008065  -0.002821   0.007879
     5  N   -0.022584  -0.010490  -0.080669   0.006868  -0.015713  -0.000626
     6  C   -0.004769   0.298514   0.321898  -0.033997   0.016320   0.000259
     7  C    0.004950  -0.000418  -0.030891   0.334798   0.262629   0.000008
     8  N   -0.011864   0.005657  -0.007665  -0.027440  -0.035253   0.000271
     9  N   -0.032874  -0.000489   0.000423  -0.003393   0.001683   0.002439
    10  N   -0.077856  -0.010024   0.001287  -0.000630  -0.000360   0.006831
    11  C    0.031882  -0.004605   0.001691   0.000257  -0.000010  -0.033980
    12  C    0.112219   0.001594   0.000105   0.000008   0.000078   0.334482
    13  N    6.775059   0.002051   0.000213   0.000287   0.000098  -0.027426
    14  H    0.002051   0.417442  -0.019990   0.011151  -0.007131  -0.000103
    15  H    0.000213  -0.019990   0.423884  -0.009007   0.020214  -0.000014
    16  H    0.000287   0.011151  -0.009007   0.421942  -0.009916  -0.000016
    17  H    0.000098  -0.007131   0.020214  -0.009916   0.397103  -0.000001
    18  H   -0.027426  -0.000103  -0.000014  -0.000016  -0.000001   0.421869
    19  H   -0.035154   0.000005   0.000017  -0.000001   0.000003  -0.010056
    20  H    0.005558   0.001359  -0.000260  -0.000102   0.000007   0.011179
    21  H   -0.007746  -0.000279   0.000053  -0.000014   0.000016  -0.008877
    22  H   -0.010674   0.003073   0.000116  -0.000557   0.001503  -0.001435
    23  H   -0.017284   0.001060  -0.000106   0.000196  -0.000360   0.001799
    24  H    0.413143  -0.000079   0.000136   0.000080   0.000012  -0.022713
    25  H    0.314032   0.000735   0.000031   0.000469   0.000044   0.002506
    26  H    0.006558  -0.000088   0.000952   0.004955   0.000703  -0.000115
    27  H   -0.002745   0.000271  -0.000618   0.000883  -0.000176   0.000341
    28  H   -0.002054  -0.002587   0.001413  -0.022515   0.017592   0.000080
    29  H   -0.002608   0.002242  -0.004182   0.002490  -0.022664   0.000467
    30  H   -0.008819  -0.017660   0.022174  -0.001462   0.001748  -0.000567
    31  H   -0.003970   0.000052  -0.019031   0.001792  -0.003197   0.000200
    32  H   -0.007674  -0.000027   0.000006   0.000054   0.000011  -0.000211
    33  H    0.002145  -0.000000  -0.000008   0.000259   0.000033  -0.000082
    34  H    0.000845  -0.000003   0.000001  -0.000081   0.000025   0.000256
    35  H   -0.001124  -0.000142  -0.000011  -0.000201   0.000092   0.000055
    36  H    0.001001   0.000329   0.000002   0.000339   0.000138   0.000862
    37  H   -0.009519   0.000107   0.000021  -0.000117   0.000051   0.004933
              19         20         21         22         23         24
     1  C    0.000868   0.000059  -0.000004   0.000368   0.000643   0.015054
     2  C   -0.000148   0.000032  -0.000054  -0.000152  -0.000317  -0.009208
     3  N    0.001682  -0.000487   0.000432   0.005770  -0.003039  -0.016876
     4  Rh  -0.002881   0.013724  -0.004301  -0.003932   0.013280  -0.027078
     5  N   -0.000383  -0.010085   0.001280  -0.014519   0.003521   0.002706
     6  C   -0.000004  -0.004613   0.001719   0.017957   0.002726  -0.000736
     7  C    0.000079   0.001610   0.000100  -0.007923  -0.004512   0.001260
     8  N    0.000095   0.002037   0.000205  -0.008763  -0.003861  -0.002065
     9  N    0.000290   0.000669  -0.000040  -0.001391  -0.002285  -0.012692
    10  N   -0.015628  -0.010746  -0.080598   0.369230   0.315508  -0.005226
    11  C    0.016605   0.298870   0.321803  -0.061763  -0.021930   0.062529
    12  C    0.262567  -0.000282  -0.031163   0.044854  -0.009157  -0.087334
    13  N   -0.035154   0.005558  -0.007746  -0.010674  -0.017284   0.413143
    14  H    0.000005   0.001359  -0.000279   0.003073   0.001060  -0.000079
    15  H    0.000017  -0.000260   0.000053   0.000116  -0.000106   0.000136
    16  H   -0.000001  -0.000102  -0.000014  -0.000557   0.000196   0.000080
    17  H    0.000003   0.000007   0.000016   0.001503  -0.000360   0.000012
    18  H   -0.010056   0.011179  -0.008877  -0.001435   0.001799  -0.022713
    19  H    0.397211  -0.007191   0.020206   0.001730  -0.003219   0.017864
    20  H   -0.007191   0.417763  -0.020006  -0.017491   0.000124  -0.002617
    21  H    0.020206  -0.020006   0.424111   0.021923  -0.018944   0.001442
    22  H    0.001730  -0.017491   0.021923   0.523747  -0.090726  -0.001419
    23  H   -0.003219   0.000124  -0.018944  -0.090726   0.545300  -0.000430
    24  H    0.017864  -0.002617   0.001442  -0.001419  -0.000430   0.548029
    25  H   -0.022899   0.002246  -0.004196   0.000168   0.001886  -0.119645
    26  H    0.000051   0.000108   0.000021  -0.000187  -0.000602   0.001418
    27  H    0.000139   0.000332   0.000002  -0.000405  -0.000297  -0.000888
    28  H    0.000012  -0.000078   0.000136   0.004474   0.001295  -0.000362
    29  H    0.000044   0.000736   0.000036  -0.004480  -0.002108  -0.000337
    30  H    0.001515   0.003182   0.000116  -0.005058  -0.000569   0.004493
    31  H   -0.000357   0.001057  -0.000098  -0.000552   0.000283   0.001306
    32  H    0.000101  -0.000143  -0.000010   0.000115   0.000455  -0.001679
    33  H    0.000026  -0.000003   0.000001   0.000008   0.000044   0.001540
    34  H    0.000033  -0.000000  -0.000007   0.000067   0.000216   0.000182
    35  H    0.000010  -0.000026   0.000006  -0.000095   0.000174   0.000215
    36  H   -0.000183   0.000270  -0.000622   0.001404   0.000846  -0.001234
    37  H    0.000691  -0.000087   0.000946   0.001808  -0.004680  -0.007047
              25         26         27         28         29         30
     1  C    0.000913  -0.024246  -0.025769  -0.009203  -0.001902  -0.000155
     2  C   -0.001911  -0.022701   0.027153   0.014888   0.000905   0.000375
     3  N    0.004087  -0.008071  -0.009412  -0.012586  -0.001231  -0.001382
     4  Rh   0.025786   0.013183  -0.017343  -0.027075   0.025752  -0.003648
     5  N   -0.002040  -0.014764  -0.002126  -0.005124  -0.013718   0.368612
     6  C   -0.002734  -0.006702  -0.007314   0.062248  -0.040218  -0.061942
     7  C    0.000731   0.010707   0.006746  -0.086975   0.024469   0.044940
     8  N   -0.002614  -0.009399   0.000888   0.413623   0.313316  -0.010796
     9  N   -0.001276   0.339487   0.371377  -0.017014   0.004158   0.005867
    10  N   -0.013655  -0.001627  -0.002233   0.002734  -0.002115  -0.014653
    11  C   -0.040275   0.000778   0.001400  -0.000730  -0.002732   0.018232
    12  C    0.024579  -0.000891  -0.002285   0.001258   0.000739  -0.008110
    13  N    0.314032   0.006558  -0.002745  -0.002054  -0.002608  -0.008819
    14  H    0.000735  -0.000088   0.000271  -0.002587   0.002242  -0.017660
    15  H    0.000031   0.000952  -0.000618   0.001413  -0.004182   0.022174
    16  H    0.000469   0.004955   0.000883  -0.022515   0.002490  -0.001462
    17  H    0.000044   0.000703  -0.000176   0.017592  -0.022664   0.001748
    18  H    0.002506  -0.000115   0.000341   0.000080   0.000467  -0.000567
    19  H   -0.022899   0.000051   0.000139   0.000012   0.000044   0.001515
    20  H    0.002246   0.000108   0.000332  -0.000078   0.000736   0.003182
    21  H   -0.004196   0.000021   0.000002   0.000136   0.000036   0.000116
    22  H    0.000168  -0.000187  -0.000405   0.004474  -0.004480  -0.005058
    23  H    0.001886  -0.000602  -0.000297   0.001295  -0.002108  -0.000569
    24  H   -0.119645   0.001418  -0.000888  -0.000362  -0.000337   0.004493
    25  H    0.562107   0.000447  -0.001272  -0.000338  -0.000382  -0.004467
    26  H    0.000447   0.580260  -0.092232  -0.007041   0.000403   0.001827
    27  H   -0.001272  -0.092232   0.480205  -0.001239   0.000662   0.001415
    28  H   -0.000338  -0.007041  -0.001239   0.547760  -0.119776  -0.001428
    29  H   -0.000382   0.000403   0.000662  -0.119776   0.562695   0.000164
    30  H   -0.004467   0.001827   0.001415  -0.001428   0.000164   0.524443
    31  H   -0.002138  -0.004675   0.000829  -0.000401   0.001858  -0.090741
    32  H    0.001313   0.001658  -0.028700   0.000221  -0.000107  -0.000097
    33  H   -0.000195  -0.019635   0.016099   0.000182  -0.000071   0.000067
    34  H   -0.000067  -0.002200  -0.000555   0.001531  -0.000199   0.000008
    35  H   -0.000107   0.001891  -0.000082  -0.001735   0.001314   0.000115
    36  H    0.000659  -0.001690  -0.000692  -0.000866  -0.001259  -0.000409
    37  H    0.000379   0.002276  -0.001672   0.001395   0.000468  -0.000186
              31         32         33         34         35         36
     1  C   -0.000308   0.306928   0.286627  -0.007919  -0.005256   0.027019
     2  C    0.000641  -0.005347  -0.007803   0.286932   0.306640  -0.025555
     3  N   -0.002263   0.013203  -0.014198  -0.055425  -0.013465   0.370782
     4  Rh   0.013098   0.004423  -0.000782  -0.000753   0.004359  -0.017278
     5  N    0.315905   0.001391   0.000258   0.000202   0.001323  -0.002236
     6  C   -0.021526   0.000371   0.000105   0.000124  -0.000689   0.001401
     7  C   -0.009495   0.000154   0.000260  -0.000033   0.003622  -0.002280
     8  N   -0.017241  -0.001110   0.000863   0.002137  -0.007718  -0.002694
     9  N   -0.003093  -0.013803  -0.055700  -0.014223   0.013237  -0.009469
    10  N    0.003509   0.001330   0.000203   0.000257   0.001377  -0.002092
    11  C    0.002723  -0.000673   0.000126   0.000109   0.000373  -0.007286
    12  C   -0.004488   0.003619  -0.000033   0.000261   0.000139   0.006700
    13  N   -0.003970  -0.007674   0.002145   0.000845  -0.001124   0.001001
    14  H    0.000052  -0.000027  -0.000000  -0.000003  -0.000142   0.000329
    15  H   -0.019031   0.000006  -0.000008   0.000001  -0.000011   0.000002
    16  H    0.001792   0.000054   0.000259  -0.000081  -0.000201   0.000339
    17  H   -0.003197   0.000011   0.000033   0.000025   0.000092   0.000138
    18  H    0.000200  -0.000211  -0.000082   0.000256   0.000055   0.000862
    19  H   -0.000357   0.000101   0.000026   0.000033   0.000010  -0.000183
    20  H    0.001057  -0.000143  -0.000003  -0.000000  -0.000026   0.000270
    21  H   -0.000098  -0.000010   0.000001  -0.000007   0.000006  -0.000622
    22  H   -0.000552   0.000115   0.000008   0.000067  -0.000095   0.001404
    23  H    0.000283   0.000455   0.000044   0.000216   0.000174   0.000846
    24  H    0.001306  -0.001679   0.001540   0.000182   0.000215  -0.001234
    25  H   -0.002138   0.001313  -0.000195  -0.000067  -0.000107   0.000659
    26  H   -0.004675   0.001658  -0.019635  -0.002200   0.001891  -0.001690
    27  H    0.000829  -0.028700   0.016099  -0.000555  -0.000082  -0.000692
    28  H   -0.000401   0.000221   0.000182   0.001531  -0.001735  -0.000866
    29  H    0.001858  -0.000107  -0.000071  -0.000199   0.001314  -0.001259
    30  H   -0.090741  -0.000097   0.000067   0.000008   0.000115  -0.000409
    31  H    0.544922   0.000182   0.000218   0.000045   0.000455  -0.000294
    32  H    0.000182   0.441332  -0.013595  -0.000980   0.002310  -0.000089
    33  H    0.000218  -0.013595   0.401384   0.022638  -0.000929  -0.000584
    34  H    0.000045  -0.000980   0.022638   0.401051  -0.013379   0.016097
    35  H    0.000455   0.002310  -0.000929  -0.013379   0.440431  -0.028696
    36  H   -0.000294  -0.000089  -0.000584   0.016097  -0.028696   0.479973
    37  H   -0.000599   0.001920  -0.002204  -0.019880   0.001603  -0.092198
              37
     1  C   -0.022915
     2  C   -0.024083
     3  N    0.339944
     4  Rh   0.013249
     5  N   -0.001619
     6  C    0.000774
     7  C   -0.000882
     8  N    0.006562
     9  N   -0.007944
    10  N   -0.014745
    11  C   -0.006732
    12  C    0.010642
    13  N   -0.009519
    14  H    0.000107
    15  H    0.000021
    16  H   -0.000117
    17  H    0.000051
    18  H    0.004933
    19  H    0.000691
    20  H   -0.000087
    21  H    0.000946
    22  H    0.001808
    23  H   -0.004680
    24  H   -0.007047
    25  H    0.000379
    26  H    0.002276
    27  H   -0.001672
    28  H    0.001395
    29  H    0.000468
    30  H   -0.000186
    31  H   -0.000599
    32  H    0.001920
    33  H   -0.002204
    34  H   -0.019880
    35  H    0.001603
    36  H   -0.092198
    37  H    0.580054
 Mulliken charges:
               1
     1  C   -0.458819
     2  C   -0.459519
     3  N   -0.297192
     4  Rh   0.237794
     5  N   -0.303323
     6  C   -0.460552
     7  C   -0.442806
     8  N   -0.311233
     9  N   -0.297019
    10  N   -0.303582
    11  C   -0.460616
    12  C   -0.443033
    13  N   -0.310435
    14  H    0.313875
    15  H    0.382135
    16  H    0.313822
    17  H    0.376491
    18  H    0.314566
    19  H    0.376260
    20  H    0.313295
    21  H    0.382406
    22  H    0.233206
    23  H    0.295071
    24  H    0.248259
    25  H    0.277090
    26  H    0.249181
    27  H    0.289313
    28  H    0.248286
    29  H    0.277172
    30  H    0.232856
    31  H    0.295393
    32  H    0.293149
    33  H    0.382737
    34  H    0.382688
    35  H    0.293915
    36  H    0.289886
    37  H    0.249285
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.217067
     2  C    0.217084
     3  N    0.241979
     4  Rh   0.237794
     5  N    0.224926
     6  C    0.235458
     7  C    0.247506
     8  N    0.214225
     9  N    0.241475
    10  N    0.224695
    11  C    0.235085
    12  C    0.247792
    13  N    0.214914
 Electronic spatial extent (au):  <R**2>=           2781.4109
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0225    Y=             -0.0002    Z=              0.0002  Tot=              0.0225
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.8719   YY=            -31.3465   ZZ=            -53.8219
   XY=             -0.0010   XZ=             -0.0048   YZ=             -0.1420
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.8082   YY=              7.3336   ZZ=            -15.1418
   XY=             -0.0010   XZ=             -0.0048   YZ=             -0.1420
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -36.0049  YYY=              0.2061  ZZZ=              0.0436  XYY=             36.7516
  XXY=             -0.2048  XXZ=              0.0098  XZZ=             -0.5027  YZZ=             -0.0076
  YYZ=              0.0210  XYZ=             -0.7809
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1018.2779 YYYY=           -984.1702 ZZZZ=           -358.0644 XXXY=              0.0509
 XXXZ=              0.1744 YYYX=             -0.0407 YYYZ=             37.2259 ZZZX=             -0.0110
 ZZZY=             -4.7487 XXYY=           -335.9738 XXZZ=           -232.6129 YYZZ=           -234.0795
 XXYZ=            -35.3254 YYXZ=             -0.2295 ZZXY=             -0.0061
 N-N= 1.198241205491D+03 E-N=-3.906850892612D+03  KE= 6.086968615324D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 00:49:04 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 8.90860634D-03-8.00422508D-05 1.00325385D-04
 Polarizability= 1.50517013D+02-7.52488376D-04 1.49049515D+02
                -1.56818627D-03 5.98748852D-02 1.18804058D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0009    0.0009       -0.0005   -0.0005
 2     -0.0009   -0.0009       -0.0157   -0.0224       -0.7530   -0.7561
 3      0.0005    0.0005       17.2611   17.2577        0.0186    0.0224
 4      0.0157    0.0224       -0.0000    0.0000        0.0005    0.0005
 5    -16.5081  -16.5016       -0.0005   -0.0005        0.0009    0.0009
 6     -0.0186   -0.0224       -0.0009   -0.0009       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0027   -0.0027       -0.0014   -0.0014
 2      0.0673    0.0673       -0.0000    0.0000       -0.0014   -0.0014
 3      0.0673    0.0673       -0.0027   -0.0027        0.0000    0.0000
 4     -0.0027   -0.0027       -0.0673   -0.0673       -2.2683   -2.2683
 5      0.0014    0.0014       51.7731   51.7731        0.0673    0.0673
 6    -49.5049  -49.5049       -0.0014   -0.0014        0.0027    0.0027
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2359    0.0000       -0.0025   -0.0036        0.0036    0.0019
 2      0.0072    0.0036        0.0348    0.0897        3.0872    3.0244
 3     -0.0037   -0.0019      -68.9935  -69.0309       -0.2111   -0.0897
 4     -0.0289   -0.0897       -0.0001    0.0000        0.0025   -0.0019
 5     65.9630   66.0065        0.0024    0.0019       -0.0075   -0.0036
 6      0.1240    0.0897        0.0037    0.0036       -0.0001    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.9698    0.0000       -0.0244   -0.0160        0.0720    0.0671
 2      0.0176    0.0160       -3.3156   -3.9899      -10.0162   -9.6184
 3     -0.0585   -0.0671       -5.4117   -6.3505        3.7077    3.9899
 4      4.7379    3.9899        0.0149    0.0000       -0.0924   -0.0671
 5     14.3852   15.9689        0.0434    0.0671        0.0158   -0.0160
 6     -3.9518   -3.9899        0.0130    0.0160        0.0143    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    105.1627  105.3163        0.5070    0.5076        0.0068    0.0085
 2    110.9404  111.0438        0.5102    0.5097        0.0032    0.0085
 3    110.8560  111.0438        0.5078    0.5076       -0.0043    0.0014
 4     -0.0088   -0.0021       -5.7064   -5.7275        3.3688    3.2139
 5     -0.0058   -0.0072      -37.1022  -37.3123        5.7561    5.7275
 6     34.0368   34.0984        0.0014    0.0072        0.0038    0.0021
 Full mass-weighted force constant matrix:
 Low frequencies ---  -18.7638  -13.0428   -5.2346   -0.0003    0.0004    0.0005
 Low frequencies ---   87.2320   90.4818  111.3947
 Diagonal vibrational polarizability:
       15.2900420      13.7720291      12.4000970
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     87.2132                90.4421               111.3698
 Red. masses --      3.0313                 2.9985                 2.8527
 Frc consts  --      0.0136                 0.0145                 0.0208
 IR Inten    --      0.0214                 0.0119                 0.1948
 RamAct Fr= 1--      1.0856                 1.1175                 0.0763
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1551                 0.1596                 0.0109
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.1134                -0.3490                 0.0592
 Delta2 Fr= 1--     -0.0575                -0.0716                -0.0010
 Raman1 Fr= 1--       4.342                  4.470                  0.305
 ROA1   Fr= 1--       9.044                -35.798                  5.655
 CID1   Fr= 1--       2.083                 -8.008                 18.527
 Raman2 Fr= 1--       1.861                  1.916                  0.131
 ROA2   Fr= 1--       3.181                 -7.804                  1.430
 CID2   Fr= 1--       1.709                 -4.074                 10.932
 Raman3 Fr= 1--       3.722                  3.832                  0.262
 ROA3   Fr= 1--       9.044                -35.798                  5.655
 CID3   Fr= 1--       2.430                 -9.343                 21.615
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00    -0.04   0.20   0.08     0.06  -0.01  -0.09
     2   6    -0.04   0.03   0.00     0.04   0.20   0.08    -0.06  -0.01  -0.09
     3   7    -0.05   0.03   0.02    -0.03  -0.00  -0.04    -0.06   0.06   0.03
     4  45    -0.04  -0.00   0.00     0.00  -0.04  -0.01     0.00  -0.01   0.06
     5   7    -0.02  -0.05  -0.01     0.01  -0.02   0.03     0.02  -0.08   0.03
     6   6     0.11  -0.16   0.06    -0.08   0.04   0.00    -0.05   0.04  -0.10
     7   6     0.16  -0.05   0.05    -0.13  -0.01  -0.03    -0.07   0.00  -0.11
     8   7    -0.01   0.01  -0.03    -0.06  -0.04  -0.01     0.06   0.01   0.02
     9   7    -0.04  -0.03  -0.02     0.04  -0.00  -0.03     0.06   0.06   0.03
    10   7    -0.02   0.05   0.01    -0.01  -0.02   0.03    -0.02  -0.08   0.02
    11   6     0.11   0.16  -0.06     0.07   0.03   0.01     0.04   0.03  -0.10
    12   6     0.17   0.05  -0.05     0.11  -0.02  -0.03     0.07   0.00  -0.11
    13   7    -0.01  -0.02   0.03     0.06  -0.04  -0.01    -0.06   0.01   0.02
    14   1     0.04  -0.28   0.06    -0.07   0.10   0.03     0.01   0.16  -0.10
    15   1     0.21  -0.19   0.11    -0.11   0.05  -0.01    -0.13   0.01  -0.19
    16   1     0.24   0.07   0.03    -0.14  -0.07  -0.05    -0.14  -0.12  -0.12
    17   1     0.23  -0.11   0.09    -0.18   0.02  -0.05    -0.11   0.09  -0.21
    18   1     0.26  -0.07  -0.04     0.13  -0.07  -0.05     0.14  -0.12  -0.12
    19   1     0.24   0.12  -0.10     0.17   0.02  -0.04     0.10   0.09  -0.21
    20   1     0.05   0.28  -0.06     0.06   0.09   0.03    -0.01   0.15  -0.09
    21   1     0.22   0.19  -0.11     0.09   0.04  -0.00     0.12   0.01  -0.19
    22   1    -0.08   0.10   0.10    -0.05   0.00   0.08    -0.05  -0.08   0.13
    23   1    -0.03  -0.06  -0.04    -0.04  -0.07  -0.00    -0.04  -0.20  -0.03
    24   1    -0.00  -0.10   0.13     0.08  -0.07  -0.01    -0.08  -0.01   0.12
    25   1    -0.12   0.02  -0.03     0.05  -0.01  -0.02    -0.18   0.06  -0.04
    26   1    -0.04  -0.03  -0.06     0.17   0.03  -0.14     0.02   0.04   0.12
    27   1    -0.04  -0.07  -0.02    -0.01  -0.13  -0.03     0.11   0.15   0.03
    28   1    -0.01   0.09  -0.13    -0.08  -0.08   0.00     0.08  -0.01   0.12
    29   1    -0.12  -0.02   0.03    -0.04  -0.01  -0.02     0.18   0.06  -0.04
    30   1    -0.08  -0.10  -0.09     0.06   0.01   0.09     0.05  -0.08   0.13
    31   1    -0.03   0.05   0.04     0.04  -0.07  -0.01     0.05  -0.20  -0.03
    32   1    -0.05  -0.03   0.03    -0.23   0.20   0.09     0.15  -0.01  -0.10
    33   1    -0.04  -0.02  -0.02     0.02   0.34   0.14     0.06  -0.05  -0.16
    34   1    -0.05   0.04   0.02    -0.02   0.34   0.14    -0.06  -0.05  -0.16
    35   1    -0.04   0.04  -0.02     0.23   0.20   0.09    -0.15  -0.01  -0.10
    36   1    -0.04   0.06   0.02     0.01  -0.13  -0.03    -0.11   0.15   0.03
    37   1    -0.05   0.03   0.05    -0.16   0.03  -0.15    -0.02   0.04   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    142.4225               143.9151               160.6105
 Red. masses --      2.9021                 2.9067                 2.7002
 Frc consts  --      0.0347                 0.0355                 0.0410
 IR Inten    --      0.3605                 0.6318                 0.0271
 RamAct Fr= 1--      0.2051                 0.3391                 1.8441
  Dep-P Fr= 1--      0.7500                 0.7211                 0.7408
  Dep-U Fr= 1--      0.8571                 0.8379                 0.8511
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0003
 Beta2  Fr= 1--      0.0293                 0.0474                 0.2616
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0050
 Gamma2 Fr= 1--      0.8865                 1.1079                -2.3704
 Delta2 Fr= 1--      0.2224                 0.2850                -0.8418
 Raman1 Fr= 1--       0.821                  1.356                  7.376
 ROA1   Fr= 1--      92.221                115.477               -254.498
 CID1   Fr= 1--     112.388                 85.137                -34.502
 Raman2 Fr= 1--       0.352                  0.568                  3.139
 ROA2   Fr= 1--      19.496                 24.309                -50.156
 CID2   Fr= 1--      55.441                 42.777                -15.978
 Raman3 Fr= 1--       0.703                  1.137                  6.278
 ROA3   Fr= 1--      92.221                115.477               -254.498
 CID3   Fr= 1--     131.123                101.605                -40.537
 RC180  Fr= 1--       0.714                  0.676                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.08     0.03  -0.11  -0.02    -0.03   0.09   0.01
     2   6    -0.02   0.04  -0.09     0.03   0.11   0.01    -0.03  -0.09  -0.01
     3   7    -0.05   0.01  -0.04     0.02   0.13   0.09    -0.00  -0.09  -0.07
     4  45    -0.00  -0.02  -0.00     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   7    -0.10   0.06  -0.06     0.06   0.03   0.07     0.09  -0.04   0.08
     6   6    -0.06   0.04  -0.05    -0.01   0.03   0.12     0.04  -0.02   0.08
     7   6     0.01  -0.02   0.13    -0.06   0.02   0.03    -0.03   0.02  -0.08
     8   7     0.07  -0.09   0.09    -0.08   0.01  -0.01    -0.08   0.05  -0.07
     9   7     0.05   0.03  -0.03     0.02  -0.13  -0.09    -0.00   0.09   0.07
    10   7     0.09   0.06  -0.05     0.07  -0.02  -0.07     0.09   0.04  -0.08
    11   6     0.06   0.04  -0.04    -0.00  -0.02  -0.13     0.04   0.02  -0.08
    12   6    -0.01  -0.02   0.13    -0.06  -0.02  -0.02    -0.03  -0.02   0.08
    13   7    -0.06  -0.09   0.09    -0.09  -0.02   0.02    -0.08  -0.05   0.07
    14   1     0.05   0.02  -0.17    -0.07   0.02   0.18    -0.05   0.00   0.18
    15   1    -0.16   0.10  -0.08     0.05   0.03   0.17     0.13  -0.06   0.11
    16   1    -0.05   0.06   0.24    -0.02  -0.01  -0.02     0.03  -0.05  -0.18
    17   1     0.09  -0.09   0.18    -0.12   0.03   0.05    -0.11   0.07  -0.11
    18   1     0.06   0.06   0.24    -0.02   0.01   0.04     0.03   0.05   0.18
    19   1    -0.07  -0.09   0.18    -0.13  -0.04  -0.03    -0.11  -0.07   0.10
    20   1    -0.04   0.03  -0.15    -0.07  -0.02  -0.20    -0.05  -0.00  -0.19
    21   1     0.15   0.10  -0.06     0.06  -0.02  -0.18     0.13   0.06  -0.11
    22   1     0.10   0.11  -0.16     0.09  -0.04  -0.11     0.11   0.07  -0.17
    23   1     0.18   0.10  -0.00     0.12  -0.03  -0.05     0.18   0.07  -0.03
    24   1    -0.08  -0.11   0.19    -0.13   0.01   0.10    -0.11  -0.05   0.17
    25   1    -0.12  -0.17   0.05    -0.15  -0.05  -0.02    -0.14  -0.11   0.03
    26   1     0.07   0.03  -0.01    -0.00  -0.12  -0.23     0.03   0.08   0.14
    27   1     0.08   0.04  -0.03     0.05  -0.27  -0.08    -0.01   0.16   0.06
    28   1     0.10  -0.11   0.20    -0.12  -0.02  -0.08    -0.11   0.05  -0.17
    29   1     0.14  -0.17   0.04    -0.14   0.03   0.03    -0.15   0.11  -0.03
    30   1    -0.11   0.10  -0.17     0.08   0.05   0.10     0.10  -0.07   0.17
    31   1    -0.19   0.09  -0.01     0.10   0.04   0.05     0.18  -0.07   0.03
    32   1     0.01   0.06  -0.10     0.06  -0.18   0.12    -0.07   0.16  -0.11
    33   1     0.05   0.08  -0.10     0.02  -0.18  -0.11    -0.01   0.17   0.09
    34   1    -0.05   0.06  -0.11     0.02   0.18   0.10    -0.01  -0.17  -0.09
    35   1    -0.02   0.04  -0.09     0.05   0.19  -0.13    -0.07  -0.16   0.11
    36   1    -0.09   0.01  -0.03     0.04   0.27   0.07    -0.01  -0.16  -0.06
    37   1    -0.07   0.01  -0.04    -0.01   0.12   0.23     0.03  -0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.1110               214.6581               218.6226
 Red. masses --      2.7389                 2.7547                 2.9959
 Frc consts  --      0.0740                 0.0748                 0.0844
 IR Inten    --      6.3106                 6.0446                13.5935
 RamAct Fr= 1--      3.1419                 2.8018                 0.0341
  Dep-P Fr= 1--      0.7452                 0.7500                 0.7492
  Dep-U Fr= 1--      0.8540                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4472                 0.4003                 0.0049
 AlphaG Fr= 1--     -0.0016                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.0153                -0.9182                -0.0768
 Delta2 Fr= 1--     -0.0701                 0.0224                -0.0206
 Raman1 Fr= 1--      12.567                 11.207                  0.137
 ROA1   Fr= 1--     -99.709                -87.435                 -8.029
 CID1   Fr= 1--      -7.934                 -7.802                -58.791
 Raman2 Fr= 1--       5.366                  4.803                  0.058
 ROA2   Fr= 1--     -23.806                -22.216                 -1.677
 CID2   Fr= 1--      -4.436                 -4.625                -28.675
 Raman3 Fr= 1--      10.733                  9.606                  0.117
 ROA3   Fr= 1--     -99.709                -87.435                 -8.029
 CID3   Fr= 1--      -9.290                 -9.102                -68.632
 RC180  Fr= 1--       0.708                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.00     0.05   0.02  -0.02     0.00   0.03  -0.04
     2   6    -0.08   0.03   0.00    -0.05   0.02  -0.02    -0.00   0.03  -0.04
     3   7    -0.07   0.03  -0.01    -0.02   0.14   0.10    -0.07  -0.09  -0.04
     4  45    -0.01   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.07
     5   7     0.10  -0.11   0.07    -0.07  -0.02  -0.05    -0.13  -0.01  -0.03
     6   6     0.01  -0.02  -0.01    -0.05  -0.08   0.03    -0.01  -0.07  -0.04
     7   6    -0.03  -0.08  -0.02    -0.05  -0.05   0.00     0.05   0.03  -0.04
     8   7     0.09  -0.08   0.08    -0.11  -0.02  -0.03    -0.06   0.10  -0.03
     9   7    -0.07  -0.04   0.00     0.01   0.14   0.10     0.07  -0.09  -0.04
    10   7     0.09   0.11  -0.06     0.07  -0.01  -0.05     0.13  -0.01  -0.03
    11   6     0.01   0.03   0.00     0.05  -0.08   0.03     0.01  -0.06  -0.04
    12   6    -0.03   0.08   0.02     0.05  -0.04   0.00    -0.05   0.03  -0.04
    13   7     0.08   0.08  -0.08     0.12  -0.02  -0.03     0.06   0.10  -0.03
    14   1     0.06   0.09   0.00    -0.11  -0.16   0.06    -0.04  -0.13  -0.05
    15   1    -0.06  -0.02  -0.06     0.03  -0.08   0.10     0.04  -0.11  -0.05
    16   1    -0.09  -0.20  -0.03    -0.00  -0.02  -0.02     0.09   0.10  -0.04
    17   1    -0.07   0.01  -0.10    -0.04  -0.06   0.02     0.12   0.00  -0.04
    18   1    -0.09   0.20   0.03    -0.00  -0.00  -0.02    -0.09   0.10  -0.04
    19   1    -0.07  -0.00   0.10     0.03  -0.06   0.02    -0.12   0.00  -0.04
    20   1     0.05  -0.07  -0.01     0.11  -0.16   0.06     0.04  -0.13  -0.05
    21   1    -0.05   0.03   0.05    -0.03  -0.08   0.10    -0.04  -0.11  -0.05
    22   1     0.12   0.15  -0.23     0.09   0.01  -0.13     0.17  -0.01  -0.16
    23   1     0.20   0.21   0.02     0.11   0.07  -0.01     0.23   0.05   0.03
    24   1     0.13   0.08  -0.22     0.15  -0.01  -0.13     0.09   0.15  -0.17
    25   1     0.22   0.10   0.00     0.21   0.01   0.02     0.17   0.17   0.04
    26   1    -0.08  -0.04  -0.01    -0.02   0.11   0.29     0.11  -0.06  -0.18
    27   1    -0.07  -0.04   0.00     0.01   0.32   0.08     0.12  -0.22  -0.02
    28   1     0.14  -0.08   0.23    -0.14  -0.02  -0.12    -0.09   0.15  -0.16
    29   1     0.23  -0.10  -0.00    -0.19   0.01   0.02    -0.17   0.16   0.04
    30   1     0.13  -0.15   0.24    -0.08  -0.00  -0.12    -0.17  -0.01  -0.16
    31   1     0.21  -0.22  -0.02    -0.10   0.05  -0.01    -0.23   0.05   0.03
    32   1    -0.07  -0.06   0.04     0.19   0.02  -0.02    -0.09   0.03  -0.03
    33   1    -0.08  -0.05  -0.04     0.02  -0.06  -0.08     0.06   0.11  -0.04
    34   1    -0.07   0.05   0.04    -0.03  -0.05  -0.08    -0.06   0.11  -0.04
    35   1    -0.05   0.06  -0.04    -0.19   0.02  -0.02     0.09   0.03  -0.03
    36   1    -0.06   0.02  -0.01    -0.02   0.32   0.08    -0.12  -0.22  -0.02
    37   1    -0.08   0.03  -0.01     0.01   0.11   0.29    -0.11  -0.06  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.0949               293.8793               305.0080
 Red. masses --      4.5464                 2.0369                 1.9489
 Frc consts  --      0.1649                 0.1036                 0.1068
 IR Inten    --      0.0102                 1.9235                 1.2407
 RamAct Fr= 1--     18.3249                 1.9222                 0.5767
  Dep-P Fr= 1--      0.0882                 0.5688                 0.6824
  Dep-U Fr= 1--      0.1621                 0.7252                 0.8112
 Alpha2 Fr= 1--      0.3302                 0.0066                 0.0007
 Beta2  Fr= 1--      0.4951                 0.2323                 0.0780
 AlphaG Fr= 1--      0.0876                -0.0217                 0.0017
 Gamma2 Fr= 1--      5.1196                -0.6293                -0.5256
 Delta2 Fr= 1--      0.5540                -0.2397                -0.0044
 Raman1 Fr= 1--      73.300                  7.689                  2.307
 ROA1   Fr= 1--     509.215                -68.084                -50.599
 CID1   Fr= 1--       6.947                 -8.855                -21.934
 Raman2 Fr= 1--       5.941                  2.788                  0.936
 ROA2   Fr= 1--     118.439                -13.185                -12.579
 CID2   Fr= 1--      19.935                 -4.729                -13.443
 Raman3 Fr= 1--      11.882                  5.576                  1.871
 ROA3   Fr= 1--     509.215                -68.084                -50.599
 CID3   Fr= 1--      42.855                -12.211                -27.038
 RC180  Fr= 1--      -0.676                  0.450                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17   0.00  -0.00    -0.09   0.11   0.01    -0.01   0.00  -0.01
     2   6     0.17  -0.00   0.00    -0.09  -0.11  -0.01     0.03  -0.00  -0.01
     3   7     0.13  -0.05   0.02     0.02   0.08   0.03     0.03  -0.01  -0.03
     4  45     0.00   0.00  -0.00     0.04   0.00   0.00    -0.00   0.04   0.00
     5   7    -0.05  -0.11  -0.05     0.00  -0.01  -0.04    -0.03   0.01  -0.03
     6   6    -0.08  -0.17   0.02    -0.02  -0.02  -0.01    -0.01  -0.07   0.06
     7   6    -0.10  -0.15  -0.03    -0.02  -0.04   0.02    -0.06  -0.04  -0.05
     8   7    -0.08  -0.09   0.05    -0.03  -0.04   0.00     0.05  -0.01   0.06
     9   7     0.13   0.06  -0.02     0.02  -0.08  -0.04    -0.02  -0.01  -0.04
    10   7    -0.06   0.11   0.05     0.00   0.01   0.04     0.04   0.03  -0.04
    11   6    -0.08   0.17  -0.02    -0.02   0.02   0.01     0.01  -0.08   0.08
    12   6    -0.10   0.15   0.03    -0.02   0.04  -0.02     0.07  -0.05  -0.07
    13   7    -0.08   0.09  -0.05    -0.03   0.04  -0.00    -0.06  -0.01   0.07
    14   1    -0.14  -0.22   0.06    -0.01  -0.03  -0.03    -0.13  -0.15   0.15
    15   1    -0.01  -0.15   0.09    -0.04   0.01   0.01     0.12  -0.08   0.16
    16   1    -0.10  -0.22  -0.06    -0.02  -0.02   0.04    -0.08  -0.21  -0.12
    17   1    -0.11  -0.09  -0.10    -0.01  -0.06   0.03    -0.14   0.08  -0.16
    18   1    -0.10   0.22   0.06    -0.02   0.02  -0.04     0.10  -0.26  -0.18
    19   1    -0.11   0.08   0.10    -0.00   0.06  -0.03     0.18   0.11  -0.21
    20   1    -0.14   0.22  -0.06    -0.01   0.03   0.03     0.17  -0.19   0.19
    21   1    -0.01   0.15  -0.09    -0.04  -0.01  -0.00    -0.18  -0.10   0.21
    22   1    -0.06   0.12   0.06     0.02  -0.02   0.07     0.08   0.03  -0.16
    23   1    -0.04   0.07   0.05    -0.02  -0.00   0.03     0.09   0.16   0.03
    24   1    -0.09   0.09  -0.03    -0.06   0.06   0.06    -0.10  -0.03   0.23
    25   1    -0.07   0.04  -0.05    -0.07   0.02  -0.03    -0.23  -0.01  -0.03
    26   1     0.10   0.05   0.00     0.12  -0.04  -0.21    -0.03  -0.00  -0.09
    27   1     0.12   0.08  -0.03     0.01  -0.25  -0.02    -0.00  -0.06  -0.03
    28   1    -0.09  -0.10   0.03    -0.06  -0.06  -0.06     0.08  -0.02   0.19
    29   1    -0.07  -0.04   0.05    -0.07  -0.02   0.03     0.18  -0.02  -0.01
    30   1    -0.06  -0.12  -0.06     0.01   0.02  -0.07    -0.06   0.00  -0.10
    31   1    -0.04  -0.07  -0.05    -0.02   0.00  -0.03    -0.05   0.10   0.01
    32   1     0.21   0.00  -0.00    -0.33   0.20  -0.14    -0.04   0.01  -0.02
    33   1     0.14  -0.05   0.01     0.00   0.34   0.15    -0.02   0.01   0.02
    34   1     0.14   0.05  -0.01     0.00  -0.34  -0.15     0.03   0.01   0.01
    35   1     0.21  -0.00   0.00    -0.33  -0.20   0.14     0.05   0.00  -0.02
    36   1     0.12  -0.07   0.03     0.01   0.25   0.02     0.01  -0.06  -0.03
    37   1     0.11  -0.05   0.00     0.12   0.04   0.21     0.04  -0.01  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.3508               325.1912               332.0835
 Red. masses --      1.8025                 3.6329                 2.9190
 Frc consts  --      0.0990                 0.2263                 0.1897
 IR Inten    --      0.7339                 7.9894                 7.1555
 RamAct Fr= 1--      2.0551                 3.4081                 2.7176
  Dep-P Fr= 1--      0.0956                 0.7500                 0.7498
  Dep-U Fr= 1--      0.1744                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0364                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0598                 0.4869                 0.3882
 AlphaG Fr= 1--      0.0847                 0.0000                 0.0002
 Gamma2 Fr= 1--     -0.0614                -0.8060                -2.7276
 Delta2 Fr= 1--     -0.1092                -0.1997                -0.0183
 Raman1 Fr= 1--       8.220                 13.632                 10.870
 ROA1   Fr= 1--      -9.389                -83.771               -262.436
 CID1   Fr= 1--      -1.142                 -6.145                -24.142
 Raman2 Fr= 1--       0.717                  5.842                  4.658
 ROA2   Fr= 1--      -0.599                -17.747                -65.316
 CID2   Fr= 1--      -0.836                 -3.038                -14.022
 Raman3 Fr= 1--       1.434                 11.685                  9.316
 ROA3   Fr= 1--      -9.389                -83.771               -262.436
 CID3   Fr= 1--      -6.547                 -7.169                -28.170
 RC180  Fr= 1--      -0.651                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.00    -0.04  -0.01   0.00    -0.07  -0.08  -0.00
     2   6     0.04  -0.02   0.00     0.04  -0.02   0.00    -0.07   0.08   0.00
     3   7     0.03  -0.01   0.03     0.06   0.01  -0.06    -0.10  -0.02  -0.08
     4  45    -0.02  -0.00  -0.00    -0.00   0.10   0.00     0.09   0.00  -0.00
     5   7     0.03  -0.07   0.05    -0.01  -0.14  -0.00     0.01  -0.02  -0.05
     6   6    -0.02   0.05  -0.08    -0.08  -0.07  -0.07    -0.02  -0.02  -0.04
     7   6     0.05   0.02   0.09    -0.02  -0.08   0.07    -0.01  -0.05   0.03
     8   7    -0.06   0.00  -0.02    -0.08  -0.03   0.06    -0.08  -0.05  -0.03
     9   7     0.04   0.01  -0.02    -0.06   0.01  -0.06    -0.10   0.02   0.08
    10   7     0.02   0.07  -0.04     0.01  -0.14  -0.00     0.01   0.02   0.05
    11   6    -0.02  -0.03   0.06     0.08  -0.07  -0.07    -0.02   0.02   0.04
    12   6     0.03  -0.01  -0.07     0.02  -0.08   0.07    -0.01   0.05  -0.03
    13   7    -0.05   0.00   0.01     0.08  -0.03   0.06    -0.08   0.05   0.03
    14   1     0.15   0.17  -0.19     0.03  -0.01  -0.14     0.03  -0.01  -0.09
    15   1    -0.21   0.07  -0.20    -0.20  -0.04  -0.12    -0.09   0.03  -0.04
    16   1     0.06   0.21   0.19    -0.04   0.02   0.15     0.01   0.04   0.07
    17   1     0.17  -0.12   0.20     0.10  -0.14   0.08     0.03  -0.11   0.09
    18   1     0.04  -0.15  -0.15     0.04   0.02   0.15     0.01  -0.04  -0.07
    19   1     0.13   0.10  -0.15    -0.10  -0.15   0.08     0.03   0.11  -0.09
    20   1     0.11  -0.13   0.14    -0.03  -0.01  -0.14     0.03   0.01   0.08
    21   1    -0.17  -0.04   0.15     0.20  -0.04  -0.12    -0.08  -0.03   0.04
    22   1     0.05   0.11  -0.20    -0.02  -0.20   0.21     0.03  -0.01   0.08
    23   1     0.12   0.19   0.05    -0.12  -0.27  -0.11    -0.04   0.03   0.03
    24   1    -0.07  -0.02   0.10     0.09  -0.01  -0.01    -0.15   0.08   0.22
    25   1    -0.14   0.01  -0.05     0.14  -0.06   0.09    -0.24  -0.02  -0.07
    26   1     0.05   0.02  -0.04    -0.10   0.02  -0.18    -0.17  -0.01   0.25
    27   1     0.04  -0.01  -0.01    -0.04  -0.10  -0.05    -0.12   0.21   0.05
    28   1    -0.09   0.03  -0.15    -0.09  -0.01  -0.01    -0.15  -0.08  -0.22
    29   1    -0.20  -0.01   0.05    -0.14  -0.06   0.09    -0.24   0.01   0.07
    30   1     0.07  -0.11   0.24     0.02  -0.20   0.21     0.03   0.01  -0.07
    31   1     0.14  -0.22  -0.05     0.12  -0.27  -0.11    -0.04  -0.04  -0.03
    32   1     0.04   0.02  -0.02    -0.04  -0.02   0.01     0.07  -0.14   0.10
    33   1     0.04   0.02   0.02    -0.06  -0.03   0.04    -0.10  -0.20  -0.13
    34   1     0.04  -0.02  -0.03     0.06  -0.03   0.04    -0.10   0.20   0.13
    35   1     0.03  -0.03   0.02     0.04  -0.02   0.01     0.07   0.14  -0.10
    36   1     0.04   0.03   0.02     0.04  -0.10  -0.05    -0.12  -0.21  -0.05
    37   1     0.04  -0.02   0.07     0.10   0.02  -0.18    -0.17   0.01  -0.25
                     16                     17                     18
                      A                      A                      A
 Frequencies --    398.9203               403.0894               405.1945
 Red. masses --      4.0067                 4.1140                 4.8997
 Frc consts  --      0.3757                 0.3938                 0.4740
 IR Inten    --      1.0691                 0.8622                 3.4158
 RamAct Fr= 1--      0.9382                 4.1777                 5.2563
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7486
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8562
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.1340                 0.5968                 0.7501
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0036
 Gamma2 Fr= 1--     -0.3575                 0.8502                -2.3434
 Delta2 Fr= 1--     -0.0925                -0.0038                -0.0371
 Raman1 Fr= 1--       3.753                 16.711                 21.025
 ROA1   Fr= 1--     -37.281                 81.492               -226.149
 CID1   Fr= 1--      -9.934                  4.877                -10.756
 Raman2 Fr= 1--       1.608                  7.162                  9.001
 ROA2   Fr= 1--      -7.840                 20.435                -55.944
 CID2   Fr= 1--      -4.874                  2.853                 -6.215
 Raman3 Fr= 1--       3.217                 14.323                 18.002
 ROA3   Fr= 1--     -37.281                 81.492               -226.149
 CID3   Fr= 1--     -11.590                  5.689                -12.562
 RC180  Fr= 1--       0.714                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.02    -0.13   0.01  -0.09    -0.03   0.01  -0.00
     2   6     0.02   0.00  -0.02     0.13   0.01  -0.09    -0.02  -0.01  -0.00
     3   7     0.04   0.03  -0.02     0.21   0.11  -0.11    -0.02  -0.00   0.02
     4  45    -0.00   0.02   0.09    -0.00  -0.07   0.04     0.08  -0.00   0.00
     5   7     0.10   0.09  -0.09    -0.01  -0.01   0.02    -0.15  -0.12   0.14
     6   6     0.10   0.04  -0.04    -0.01   0.00  -0.01    -0.10  -0.07   0.03
     7   6     0.00  -0.12  -0.03     0.01   0.03   0.01    -0.00   0.11   0.02
     8   7    -0.04  -0.15  -0.09    -0.01   0.06   0.04     0.03   0.16   0.11
     9   7    -0.04   0.03  -0.02    -0.20   0.11  -0.11    -0.03   0.01  -0.03
    10   7    -0.10   0.09  -0.09     0.01  -0.02   0.02    -0.15   0.12  -0.14
    11   6    -0.09   0.04  -0.04     0.01  -0.00  -0.00    -0.10   0.07  -0.03
    12   6    -0.00  -0.12  -0.03    -0.01   0.03   0.01    -0.00  -0.11  -0.02
    13   7     0.04  -0.14  -0.08     0.01   0.07   0.05     0.03  -0.16  -0.11
    14   1     0.15   0.05  -0.08     0.00   0.02  -0.01    -0.13  -0.06   0.07
    15   1     0.01   0.16   0.01    -0.02  -0.01  -0.02    -0.03  -0.21  -0.05
    16   1     0.02  -0.17  -0.08     0.01   0.03   0.01    -0.03   0.12   0.05
    17   1    -0.14  -0.10   0.02     0.05   0.03  -0.02     0.13   0.12  -0.06
    18   1    -0.02  -0.16  -0.08    -0.01   0.04   0.01    -0.03  -0.13  -0.05
    19   1     0.14  -0.10   0.02    -0.05   0.04  -0.02     0.13  -0.12   0.06
    20   1    -0.14   0.05  -0.08     0.00   0.02  -0.01    -0.14   0.06  -0.07
    21   1    -0.01   0.15   0.01     0.02  -0.01  -0.02    -0.03   0.21   0.05
    22   1    -0.08   0.13  -0.24    -0.01   0.05  -0.07    -0.15   0.12  -0.15
    23   1     0.03   0.16  -0.00     0.10  -0.01   0.07    -0.18   0.18  -0.13
    24   1     0.10  -0.16  -0.26     0.01   0.09  -0.01     0.01  -0.12  -0.10
    25   1     0.18  -0.05   0.01     0.03   0.13   0.07     0.05  -0.22  -0.11
    26   1    -0.09   0.04  -0.15    -0.22   0.08   0.09    -0.05   0.01  -0.05
    27   1     0.03  -0.08  -0.00    -0.24   0.29  -0.13    -0.07  -0.01  -0.03
    28   1    -0.10  -0.17  -0.27    -0.01   0.09  -0.01     0.01   0.12   0.09
    29   1    -0.18  -0.06   0.01    -0.04   0.12   0.07     0.05   0.23   0.12
    30   1     0.08   0.13  -0.24     0.01   0.06  -0.08    -0.15  -0.11   0.14
    31   1    -0.03   0.16  -0.01    -0.10  -0.00   0.06    -0.19  -0.18   0.13
    32   1     0.00   0.00  -0.01    -0.17   0.05  -0.16    -0.04   0.01  -0.01
    33   1    -0.04  -0.02   0.01    -0.22  -0.00   0.10    -0.04   0.01   0.02
    34   1     0.04  -0.02   0.01     0.22   0.00   0.11    -0.02  -0.01  -0.02
    35   1     0.00   0.00  -0.01     0.17   0.05  -0.16    -0.03  -0.01  -0.00
    36   1    -0.02  -0.08  -0.00     0.24   0.29  -0.14    -0.06   0.02   0.03
    37   1     0.09   0.04  -0.15     0.22   0.08   0.08    -0.04  -0.01   0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.7618               464.1151               501.6388
 Red. masses --      3.8961                 4.1288                 4.1520
 Frc consts  --      0.4873                 0.5240                 0.6156
 IR Inten    --      6.4781                 8.0974                 0.0324
 RamAct Fr= 1--      5.1074                 5.3111                50.8207
  Dep-P Fr= 1--      0.7499                 0.7499                 0.0029
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0058
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.1217
 Beta2  Fr= 1--      0.7296                 0.7587                 0.0489
 AlphaG Fr= 1--      0.0014                -0.0000                 0.1805
 Gamma2 Fr= 1--      0.7326                 1.5534                -0.9275
 Delta2 Fr= 1--     -0.0540                -0.1620                 0.0471
 Raman1 Fr= 1--      20.430                 21.244                203.283
 ROA1   Fr= 1--      68.601                143.947                -87.528
 CID1   Fr= 1--       3.358                  6.776                 -0.431
 Raman2 Fr= 1--       8.755                  9.104                  0.587
 ROA2   Fr= 1--      18.015                 38.578                -22.636
 CID2   Fr= 1--       2.058                  4.237                -38.575
 Raman3 Fr= 1--      17.510                 18.208                  1.174
 ROA3   Fr= 1--      68.601                143.947                -87.528
 CID3   Fr= 1--       3.918                  7.906                -74.580
 RC180  Fr= 1--       0.714                  0.714                 -0.988
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.01    -0.02  -0.00  -0.01    -0.01  -0.02   0.01
     2   6    -0.03   0.03  -0.01     0.02  -0.00  -0.01    -0.01   0.02  -0.01
     3   7     0.09   0.14  -0.20     0.04   0.03  -0.02     0.08   0.11  -0.14
     4  45    -0.03   0.00  -0.00    -0.00   0.03   0.01     0.00  -0.00   0.00
     5   7     0.06  -0.01  -0.09    -0.16  -0.02   0.19    -0.12  -0.03   0.15
     6   6    -0.04  -0.03  -0.01     0.00   0.01   0.03    -0.01   0.01   0.02
     7   6    -0.00   0.02   0.02     0.01   0.04  -0.03     0.00   0.02  -0.01
     8   7    -0.04   0.11   0.10     0.06  -0.12  -0.18     0.04  -0.13  -0.16
     9   7     0.10  -0.14   0.20    -0.04   0.03  -0.02     0.08  -0.11   0.14
    10   7     0.05   0.01   0.09     0.16  -0.02   0.19    -0.12   0.03  -0.15
    11   6    -0.04   0.03   0.01    -0.01   0.01   0.03    -0.01  -0.01  -0.02
    12   6    -0.00  -0.03  -0.02    -0.01   0.04  -0.03     0.00  -0.02   0.01
    13   7    -0.03  -0.11  -0.10    -0.06  -0.12  -0.18     0.04   0.13   0.16
    14   1    -0.08  -0.07   0.01    -0.01   0.04   0.05    -0.00   0.03   0.04
    15   1     0.01   0.01   0.07     0.02  -0.12  -0.08    -0.00  -0.09  -0.07
    16   1    -0.02   0.06   0.06     0.04   0.08  -0.03     0.03   0.08  -0.00
    17   1     0.10   0.03  -0.03    -0.07  -0.04   0.10    -0.05  -0.06   0.11
    18   1    -0.02  -0.06  -0.06    -0.04   0.08  -0.03     0.03  -0.08   0.00
    19   1     0.10  -0.02   0.03     0.07  -0.04   0.10    -0.05   0.06  -0.11
    20   1    -0.08   0.07  -0.01     0.00   0.04   0.05    -0.00  -0.04  -0.04
    21   1     0.01  -0.01  -0.07    -0.02  -0.11  -0.08    -0.00   0.09   0.07
    22   1     0.10  -0.00  -0.01     0.23  -0.08   0.13    -0.15   0.03  -0.06
    23   1     0.16   0.03   0.15     0.21  -0.02   0.21    -0.18   0.01  -0.18
    24   1    -0.00  -0.16  -0.14    -0.06  -0.20  -0.07     0.07   0.17   0.03
    25   1    -0.00  -0.08  -0.08    -0.12  -0.21  -0.23     0.11   0.20   0.22
    26   1     0.15  -0.15   0.32    -0.06   0.03  -0.03     0.10  -0.11   0.19
    27   1     0.17  -0.01   0.19    -0.03   0.02  -0.02     0.11  -0.03   0.14
    28   1    -0.00   0.16   0.14     0.06  -0.20  -0.07     0.07  -0.17  -0.03
    29   1    -0.00   0.08   0.08     0.12  -0.21  -0.23     0.11  -0.20  -0.22
    30   1     0.10   0.01   0.01    -0.23  -0.08   0.13    -0.15  -0.03   0.06
    31   1     0.16  -0.03  -0.15    -0.21  -0.02   0.21    -0.18  -0.01   0.18
    32   1    -0.06  -0.04   0.03    -0.01   0.01  -0.02    -0.06  -0.02   0.01
    33   1     0.09   0.07  -0.10    -0.04  -0.01   0.02     0.08   0.07  -0.06
    34   1     0.09  -0.07   0.10     0.04  -0.01   0.02     0.08  -0.07   0.06
    35   1    -0.06   0.04  -0.03     0.01   0.01  -0.02    -0.06   0.02  -0.01
    36   1     0.17   0.01  -0.19     0.03   0.02  -0.02     0.11   0.03  -0.13
    37   1     0.15   0.15  -0.32     0.06   0.03  -0.03     0.10   0.11  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.8886               543.5647               554.4367
 Red. masses --      1.6846                 1.7181                 1.7983
 Frc consts  --      0.2861                 0.2991                 0.3257
 IR Inten    --      2.7066                 2.4561                 1.6797
 RamAct Fr= 1--      0.8685                 0.2098                 0.0878
  Dep-P Fr= 1--      0.2562                 0.7497                 0.7496
  Dep-U Fr= 1--      0.4079                 0.8570                 0.8569
 Alpha2 Fr= 1--      0.0101                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0590                 0.0300                 0.0125
 AlphaG Fr= 1--     -0.0183                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.7620                -0.4336                 0.1709
 Delta2 Fr= 1--      0.4987                -0.1159                 0.1109
 Raman1 Fr= 1--       3.474                  0.839                  0.351
 ROA1   Fr= 1--      89.113                -45.332                 19.950
 CID1   Fr= 1--      25.650                -54.011                 56.790
 Raman2 Fr= 1--       0.709                  0.360                  0.151
 ROA2   Fr= 1--      14.299                 -9.478                  3.214
 CID2   Fr= 1--      20.180                -26.356                 21.352
 Raman3 Fr= 1--       1.417                  0.719                  0.301
 ROA3   Fr= 1--      89.113                -45.332                 19.950
 CID3   Fr= 1--      62.882                -63.026                 66.276
 RC180  Fr= 1--      -0.184                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.08   0.01   0.09    -0.01  -0.00  -0.01
     2   6     0.00   0.00  -0.00    -0.08   0.01   0.08     0.01  -0.00  -0.01
     3   7     0.02   0.02  -0.03     0.00   0.08  -0.08    -0.01  -0.02   0.02
     4  45    -0.01   0.00  -0.00     0.00  -0.02  -0.00    -0.00   0.01  -0.03
     5   7    -0.03   0.02   0.07    -0.01  -0.01   0.02    -0.04   0.01   0.08
     6   6     0.08   0.03  -0.02     0.00   0.00  -0.00     0.08   0.02  -0.02
     7   6     0.02  -0.08  -0.02     0.00  -0.00  -0.00     0.02  -0.09  -0.01
     8   7    -0.03   0.02   0.07     0.01   0.02   0.02    -0.03   0.02   0.07
     9   7     0.02  -0.02   0.03    -0.00   0.08  -0.08     0.01  -0.02   0.01
    10   7    -0.03  -0.02  -0.07     0.01  -0.01   0.03     0.04   0.01   0.08
    11   6     0.08  -0.03   0.02    -0.01   0.00  -0.00    -0.08   0.02  -0.02
    12   6     0.02   0.08   0.02    -0.00  -0.00  -0.00    -0.02  -0.09  -0.01
    13   7    -0.03  -0.02  -0.07    -0.01   0.02   0.02     0.03   0.02   0.07
    14   1     0.24   0.13  -0.14     0.04   0.03  -0.02     0.26   0.13  -0.14
    15   1    -0.13   0.07  -0.14    -0.03  -0.00  -0.03    -0.15   0.06  -0.16
    16   1     0.01  -0.28  -0.13    -0.01  -0.04  -0.02     0.02  -0.29  -0.13
    17   1    -0.13   0.08  -0.14    -0.01   0.03  -0.04    -0.13   0.08  -0.14
    18   1     0.01   0.28   0.13     0.01  -0.04  -0.02    -0.02  -0.29  -0.13
    19   1    -0.12  -0.08   0.14     0.01   0.03  -0.04     0.13   0.08  -0.14
    20   1     0.24  -0.12   0.14    -0.04   0.03  -0.02    -0.26   0.13  -0.15
    21   1    -0.12  -0.07   0.14     0.03  -0.00  -0.03     0.15   0.06  -0.16
    22   1    -0.10  -0.01   0.10     0.01   0.05  -0.10     0.10   0.00  -0.10
    23   1    -0.17  -0.08  -0.15     0.12   0.02   0.09     0.17   0.08   0.16
    24   1    -0.07  -0.07   0.15     0.01   0.01  -0.03     0.04   0.09  -0.06
    25   1    -0.18  -0.14  -0.18     0.03   0.05   0.05     0.12   0.06   0.13
    26   1     0.00  -0.01  -0.02    -0.02   0.11  -0.31     0.03  -0.04   0.13
    27   1     0.05  -0.05   0.04    -0.06  -0.17  -0.06    -0.03   0.09  -0.00
    28   1    -0.07   0.07  -0.15    -0.01   0.01  -0.03    -0.04   0.09  -0.06
    29   1    -0.18   0.14   0.18    -0.02   0.05   0.05    -0.12   0.05   0.13
    30   1    -0.10   0.01  -0.10    -0.01   0.05  -0.10    -0.10   0.00  -0.10
    31   1    -0.17   0.08   0.15    -0.12   0.02   0.08    -0.17   0.07   0.16
    32   1    -0.00  -0.00   0.00     0.33  -0.10   0.27    -0.06   0.02  -0.04
    33   1     0.02   0.01  -0.01    -0.01  -0.26  -0.13     0.02   0.06   0.02
    34   1     0.02  -0.01   0.01     0.01  -0.26  -0.13    -0.02   0.06   0.02
    35   1    -0.00   0.00  -0.00    -0.33  -0.11   0.27     0.06   0.02  -0.04
    36   1     0.05   0.05  -0.04     0.06  -0.17  -0.06     0.03   0.09  -0.00
    37   1     0.00   0.01   0.02     0.02   0.11  -0.31    -0.03  -0.04   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    683.7310               691.0945               713.7975
 Red. masses --      1.2952                 1.2974                 1.3007
 Frc consts  --      0.3567                 0.3651                 0.3905
 IR Inten    --      2.5754                 0.0341                 0.5316
 RamAct Fr= 1--      0.5197                 1.9361                 0.9362
  Dep-P Fr= 1--      0.7498                 0.0485                 0.5575
  Dep-U Fr= 1--      0.8570                 0.0925                 0.7159
 Alpha2 Fr= 1--      0.0000                 0.0384                 0.0034
 Beta2  Fr= 1--      0.0742                 0.0299                 0.1117
 AlphaG Fr= 1--     -0.0000                -0.0054                -0.1136
 Gamma2 Fr= 1--      2.6342                 2.3297                -3.4597
 Delta2 Fr= 1--     -0.0658                -0.0995                 0.2459
 Raman1 Fr= 1--       2.079                  7.744                  3.745
 ROA1   Fr= 1--     250.773                220.471               -324.260
 CID1   Fr= 1--     120.623                 28.469                -86.592
 Raman2 Fr= 1--       0.891                  0.358                  1.340
 ROA2   Fr= 1--      63.746                 56.709                -85.000
 CID2   Fr= 1--      71.555                158.296                -63.414
 Raman3 Fr= 1--       1.782                  0.716                  2.681
 ROA3   Fr= 1--     250.773                220.471               -324.260
 CID3   Fr= 1--     140.745                307.706               -120.956
 RC180  Fr= 1--       0.714                 -0.815                  0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.02   0.00   0.01    -0.00   0.01   0.01
     2   6    -0.01  -0.00   0.01    -0.02  -0.00  -0.01    -0.00  -0.01  -0.01
     3   7    -0.01  -0.01  -0.02    -0.01  -0.05  -0.07    -0.01  -0.04  -0.04
     4  45    -0.00   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.05  -0.03   0.01    -0.03   0.02  -0.01     0.05  -0.04   0.02
     6   6     0.00  -0.02  -0.01    -0.01   0.00  -0.01    -0.00  -0.02  -0.00
     7   6    -0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.02  -0.00   0.00
     8   7    -0.07   0.02  -0.03     0.04  -0.02   0.01    -0.05   0.02  -0.01
     9   7     0.01  -0.01  -0.02    -0.01   0.05   0.07    -0.01   0.04   0.04
    10   7    -0.05  -0.03   0.01    -0.03  -0.02   0.01     0.05   0.04  -0.02
    11   6    -0.00  -0.02  -0.01    -0.01  -0.00   0.01    -0.00   0.02   0.00
    12   6     0.01  -0.00  -0.00     0.01  -0.01   0.01    -0.02   0.00  -0.00
    13   7     0.07   0.02  -0.03     0.04   0.02  -0.01    -0.05  -0.02   0.01
    14   1     0.05   0.05  -0.01    -0.08  -0.06   0.03     0.05   0.06  -0.02
    15   1    -0.05   0.01  -0.02     0.08  -0.02   0.04    -0.08   0.01  -0.04
    16   1     0.03   0.12   0.02    -0.02  -0.01   0.01     0.01   0.09   0.03
    17   1     0.06  -0.08   0.06    -0.00   0.01  -0.01     0.05  -0.06   0.03
    18   1    -0.03   0.12   0.02    -0.02   0.01  -0.01     0.01  -0.09  -0.03
    19   1    -0.06  -0.08   0.06    -0.00  -0.01   0.01     0.05   0.06  -0.04
    20   1    -0.05   0.05  -0.01    -0.08   0.06  -0.03     0.05  -0.06   0.02
    21   1     0.05   0.01  -0.02     0.08   0.02  -0.04    -0.08  -0.01   0.04
    22   1    -0.05   0.09  -0.27    -0.03   0.07  -0.18     0.07  -0.12   0.29
    23   1     0.21   0.04   0.15     0.14   0.04   0.12    -0.22  -0.06  -0.17
    24   1    -0.10   0.13   0.34    -0.04   0.08   0.18     0.05  -0.09  -0.23
    25   1    -0.19  -0.21  -0.21    -0.08  -0.12  -0.10     0.13   0.13   0.14
    26   1     0.04  -0.03   0.10    -0.09   0.10  -0.35    -0.05   0.07  -0.24
    27   1    -0.07   0.09  -0.04     0.17  -0.33   0.13     0.10  -0.24   0.09
    28   1     0.10   0.14   0.34    -0.04  -0.07  -0.18     0.05   0.09   0.23
    29   1     0.19  -0.21  -0.22    -0.08   0.12   0.10     0.13  -0.13  -0.14
    30   1     0.05   0.09  -0.27    -0.03  -0.07   0.18     0.07   0.12  -0.28
    31   1    -0.21   0.04   0.15     0.14  -0.04  -0.11    -0.22   0.06   0.17
    32   1    -0.01  -0.01   0.03     0.11  -0.02   0.03     0.09  -0.01   0.03
    33   1     0.02   0.00   0.00    -0.03  -0.08  -0.07    -0.03  -0.06  -0.04
    34   1    -0.02   0.00   0.00    -0.04   0.08   0.07    -0.03   0.06   0.04
    35   1     0.01  -0.01   0.03     0.11   0.02  -0.03     0.09   0.01  -0.03
    36   1     0.07   0.08  -0.04     0.17   0.34  -0.14     0.10   0.25  -0.09
    37   1    -0.03  -0.03   0.10    -0.09  -0.10   0.35    -0.05  -0.07   0.25
                     28                     29                     30
                      A                      A                      A
 Frequencies --    720.9487               754.9434               772.1579
 Red. masses --      1.4475                 1.4147                 1.4460
 Frc consts  --      0.4433                 0.4750                 0.5080
 IR Inten    --      7.3762                 8.1455                17.6844
 RamAct Fr= 1--      0.0778                 0.9056                 0.7747
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7478
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8557
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0111                 0.1294                 0.1105
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0006
 Gamma2 Fr= 1--     -0.2777                 1.7601                -1.4584
 Delta2 Fr= 1--     -0.0232                 0.1490                -0.0070
 Raman1 Fr= 1--       0.311                  3.622                  3.099
 ROA1   Fr= 1--     -27.403                173.738               -140.229
 CID1   Fr= 1--     -88.044                 47.964                -45.254
 Raman2 Fr= 1--       0.133                  1.552                  1.326
 ROA2   Fr= 1--      -6.480                 41.050                -34.946
 CID2   Fr= 1--     -48.581                 26.443                -26.358
 Raman3 Fr= 1--       0.267                  3.105                  2.652
 ROA3   Fr= 1--     -27.403                173.738               -140.229
 CID3   Fr= 1--    -102.720                 55.958                -52.885
 RC180  Fr= 1--       0.714                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.01     0.02   0.01   0.04     0.01   0.00  -0.00
     2   6    -0.02   0.02   0.01    -0.02   0.01   0.04     0.01  -0.00   0.00
     3   7     0.01  -0.01  -0.04    -0.03  -0.05  -0.08     0.00   0.01   0.00
     4  45     0.00  -0.01   0.01    -0.00   0.01   0.01    -0.02  -0.00  -0.00
     5   7    -0.05   0.07  -0.02     0.01   0.00  -0.00     0.06  -0.04   0.01
     6   6     0.04   0.01  -0.01    -0.02  -0.00  -0.01    -0.03   0.00  -0.01
     7   6     0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
     8   7    -0.06   0.01  -0.01     0.04  -0.03   0.00     0.07  -0.03   0.02
     9   7    -0.01  -0.01  -0.04     0.03  -0.05  -0.08     0.00  -0.01  -0.00
    10   7     0.05   0.07  -0.02    -0.01   0.00  -0.00     0.06   0.04  -0.01
    11   6    -0.04   0.01  -0.01     0.02  -0.00  -0.01    -0.03  -0.00   0.01
    12   6    -0.02  -0.03  -0.01     0.00   0.01  -0.01    -0.01  -0.04   0.01
    13   7     0.06   0.01  -0.01    -0.04  -0.03   0.00     0.07   0.03  -0.02
    14   1     0.06  -0.06  -0.06    -0.09  -0.03   0.04    -0.13   0.03   0.10
    15   1     0.01   0.04   0.01     0.06  -0.02   0.03     0.06  -0.05   0.01
    16   1     0.07  -0.07  -0.07    -0.04   0.03   0.04    -0.09   0.09   0.10
    17   1    -0.05  -0.00  -0.01     0.03  -0.01   0.00     0.07  -0.01   0.01
    18   1    -0.06  -0.07  -0.07     0.04   0.03   0.04    -0.09  -0.09  -0.10
    19   1     0.05  -0.00  -0.01    -0.03  -0.01   0.00     0.07   0.01  -0.01
    20   1    -0.06  -0.06  -0.06     0.09  -0.03   0.04    -0.13  -0.03  -0.10
    21   1    -0.01   0.04   0.01    -0.06  -0.02   0.03     0.06   0.05  -0.01
    22   1     0.11  -0.17   0.34    -0.03   0.03  -0.02     0.10  -0.14   0.28
    23   1    -0.27  -0.03  -0.20     0.04  -0.03   0.01    -0.23  -0.01  -0.16
    24   1    -0.07   0.15   0.22     0.04  -0.08  -0.17    -0.08   0.17   0.30
    25   1    -0.10  -0.16  -0.12     0.08   0.11   0.10    -0.14  -0.21  -0.18
    26   1     0.07  -0.02   0.09     0.13  -0.10   0.35     0.00  -0.01   0.04
    27   1    -0.08   0.09  -0.06    -0.24   0.35  -0.16    -0.02   0.04  -0.01
    28   1     0.07   0.15   0.22    -0.04  -0.08  -0.17    -0.08  -0.17  -0.30
    29   1     0.10  -0.16  -0.12    -0.08   0.11   0.10    -0.14   0.21   0.18
    30   1    -0.11  -0.17   0.34     0.03   0.03  -0.02     0.10   0.14  -0.28
    31   1     0.27  -0.03  -0.20    -0.04  -0.03   0.01    -0.23   0.01   0.16
    32   1     0.08  -0.03   0.11     0.01  -0.05   0.16    -0.01   0.00  -0.01
    33   1    -0.01  -0.07  -0.07     0.04  -0.01  -0.05     0.01   0.01   0.01
    34   1     0.01  -0.07  -0.07    -0.04  -0.01  -0.05     0.01  -0.01  -0.01
    35   1    -0.08  -0.03   0.11    -0.01  -0.05   0.16    -0.01  -0.00   0.01
    36   1     0.08   0.09  -0.06     0.24   0.35  -0.16    -0.02  -0.04   0.01
    37   1    -0.07  -0.02   0.09    -0.13  -0.10   0.35     0.00   0.01  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2216               866.9085               867.4157
 Red. masses --      3.1238                 3.1664                 2.7772
 Frc consts  --      1.3810                 1.4020                 1.2312
 IR Inten    --     10.8397                 8.7066                 2.8453
 RamAct Fr= 1--      0.5067                 1.3868                 4.8328
  Dep-P Fr= 1--      0.7500                 0.7482                 0.2189
  Dep-U Fr= 1--      0.8571                 0.8560                 0.3591
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0624
 Beta2  Fr= 1--      0.0724                 0.1978                 0.2893
 AlphaG Fr= 1--      0.0000                 0.0010                -0.0157
 Gamma2 Fr= 1--      1.0198                 0.6001                 1.1102
 Delta2 Fr= 1--      1.1802                 0.5698                -0.2334
 Raman1 Fr= 1--       2.027                  5.547                 19.331
 ROA1   Fr= 1--     135.668                 75.849                 99.114
 CID1   Fr= 1--      66.939                 13.673                  5.127
 Raman2 Fr= 1--       0.869                  2.374                  3.471
 ROA2   Fr= 1--      15.034                  9.845                 28.512
 CID2   Fr= 1--      17.308                  4.147                  8.214
 Raman3 Fr= 1--       1.737                  4.748                  6.942
 ROA3   Fr= 1--     135.668                 75.849                 99.114
 CID3   Fr= 1--      78.096                 15.974                 14.277
 RC180  Fr= 1--       0.714                  0.712                 -0.282
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.02     0.15   0.02   0.12    -0.04  -0.01  -0.03
     2   6    -0.01   0.04  -0.02     0.15  -0.02  -0.12    -0.04   0.01   0.03
     3   7     0.04  -0.03   0.01    -0.11   0.06  -0.06     0.03  -0.01   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.11  -0.07    -0.03  -0.09  -0.07     0.00   0.02   0.03
     6   6     0.15   0.06  -0.00     0.10   0.05   0.02     0.10   0.02  -0.10
     7   6    -0.03   0.16   0.03    -0.02   0.11   0.04    -0.00   0.09  -0.09
     8   7    -0.06  -0.06   0.05    -0.03  -0.03   0.02    -0.11  -0.10   0.10
     9   7    -0.03  -0.03   0.01    -0.11  -0.05   0.06     0.03   0.01  -0.02
    10   7     0.03  -0.12  -0.08    -0.02   0.08   0.06     0.00  -0.02  -0.04
    11   6    -0.16   0.06  -0.00     0.09  -0.04  -0.02     0.10  -0.02   0.10
    12   6     0.03   0.17   0.04    -0.02  -0.09  -0.04    -0.00  -0.09   0.09
    13   7     0.06  -0.06   0.05    -0.02   0.02  -0.01    -0.11   0.10  -0.10
    14   1     0.08  -0.03   0.02     0.09  -0.02  -0.01    -0.15  -0.07   0.11
    15   1     0.25  -0.09  -0.07     0.13  -0.03  -0.04     0.43  -0.16  -0.05
    16   1    -0.05  -0.02  -0.05    -0.02  -0.07  -0.06    -0.07   0.23   0.07
    17   1    -0.28   0.24   0.07    -0.24   0.20   0.05     0.09  -0.06   0.05
    18   1     0.06  -0.02  -0.05    -0.02   0.06   0.05    -0.07  -0.23  -0.07
    19   1     0.29   0.25   0.07    -0.22  -0.18  -0.04     0.09   0.07  -0.05
    20   1    -0.08  -0.03   0.02     0.09   0.02   0.01    -0.15   0.07  -0.11
    21   1    -0.26  -0.09  -0.08     0.10   0.02   0.03     0.43   0.16   0.05
    22   1     0.10  -0.18  -0.15    -0.05   0.11   0.08    -0.09   0.10  -0.03
    23   1     0.07  -0.07  -0.04    -0.03   0.05   0.05    -0.04   0.03  -0.04
    24   1     0.11  -0.19   0.09    -0.05   0.10  -0.04    -0.07   0.07  -0.21
    25   1     0.03  -0.09   0.04    -0.01   0.06  -0.00     0.01   0.03  -0.05
    26   1     0.02  -0.03   0.05    -0.10  -0.04  -0.02     0.03   0.00   0.01
    27   1    -0.00  -0.00   0.01    -0.22  -0.14   0.05     0.05   0.04  -0.02
    28   1    -0.10  -0.19   0.09    -0.06  -0.12   0.05    -0.07  -0.07   0.21
    29   1    -0.03  -0.08   0.03    -0.02  -0.06   0.01     0.01  -0.03   0.05
    30   1    -0.09  -0.17  -0.14    -0.06  -0.13  -0.09    -0.09  -0.10   0.03
    31   1    -0.06  -0.06  -0.04    -0.03  -0.06  -0.05    -0.04  -0.03   0.04
    32   1     0.07  -0.03   0.09    -0.01   0.06   0.05    -0.01  -0.02  -0.01
    33   1    -0.02  -0.05  -0.14     0.07   0.05   0.37    -0.01  -0.01  -0.09
    34   1     0.01  -0.04  -0.11     0.07  -0.04  -0.36    -0.01   0.00   0.08
    35   1    -0.07  -0.02   0.10    -0.01  -0.06  -0.06    -0.01   0.02   0.01
    36   1     0.02  -0.01   0.01    -0.22   0.14  -0.06     0.05  -0.04   0.02
    37   1    -0.01  -0.03   0.05    -0.11   0.04   0.02     0.03  -0.01  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.8980               870.1582               875.9344
 Red. masses --      2.9020                 2.5180                 2.4938
 Frc consts  --      1.2909                 1.1233                 1.1273
 IR Inten    --      1.7552                 0.4588                 1.2362
 RamAct Fr= 1--      6.0838                 3.0764                 0.3096
  Dep-P Fr= 1--      0.1044                 0.7477                 0.7499
  Dep-U Fr= 1--      0.1890                 0.8556                 0.8571
 Alpha2 Fr= 1--      0.1054                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1916                 0.4387                 0.0442
 AlphaG Fr= 1--     -0.0071                -0.0001                 0.0000
 Gamma2 Fr= 1--     -1.0202                -1.3375                 0.2883
 Delta2 Fr= 1--     -1.7269                -0.7392                -0.0128
 Raman1 Fr= 1--      24.335                 12.306                  1.238
 ROA1   Fr= 1--    -153.200               -152.057                 27.271
 CID1   Fr= 1--      -6.295                -12.357                 22.021
 Raman2 Fr= 1--       2.300                  5.265                  0.531
 ROA2   Fr= 1--     -10.670                -26.188                  7.023
 CID2   Fr= 1--      -4.640                 -4.974                 13.233
 Raman3 Fr= 1--       4.599                 10.529                  1.061
 ROA3   Fr= 1--    -153.200               -152.057                 27.271
 CID3   Fr= 1--     -33.311                -14.442                 25.692
 RC180  Fr= 1--      -0.622                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09    -0.01  -0.13   0.07    -0.00  -0.04   0.03
     2   6     0.11  -0.02  -0.08     0.00  -0.13   0.08    -0.00  -0.04   0.03
     3   7    -0.09   0.05  -0.03    -0.11   0.10  -0.07    -0.04   0.02  -0.04
     4  45     0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.01
     5   7     0.03   0.12   0.08    -0.01   0.01   0.00    -0.03  -0.08  -0.08
     6   6    -0.07  -0.04  -0.06     0.04   0.02  -0.04    -0.02   0.01   0.11
     7   6     0.03  -0.10  -0.08     0.00   0.04  -0.02    -0.01  -0.01   0.11
     8   7    -0.01   0.00   0.02    -0.04  -0.04   0.04     0.06   0.07  -0.09
     9   7    -0.08  -0.04   0.03     0.12   0.10  -0.07     0.04   0.02  -0.04
    10   7     0.03  -0.12  -0.09     0.01   0.02   0.00     0.03  -0.08  -0.08
    11   6    -0.08   0.04   0.06    -0.04   0.02  -0.04     0.02   0.01   0.11
    12   6     0.03   0.10   0.08    -0.00   0.04  -0.03     0.01  -0.01   0.11
    13   7    -0.01  -0.00  -0.01     0.04  -0.04   0.04    -0.06   0.07  -0.09
    14   1    -0.17  -0.02   0.05    -0.07  -0.06   0.04     0.24   0.05  -0.13
    15   1     0.03  -0.02   0.04     0.19  -0.05  -0.00    -0.32   0.14   0.02
    16   1    -0.00   0.14   0.09    -0.03   0.04   0.01     0.09  -0.22  -0.12
    17   1     0.30  -0.25  -0.04    -0.01   0.01   0.01    -0.25   0.17   0.01
    18   1     0.00  -0.14  -0.09     0.03   0.04   0.01    -0.09  -0.22  -0.12
    19   1     0.30   0.25   0.04    -0.00   0.01   0.01     0.25   0.17   0.01
    20   1    -0.17   0.01  -0.05     0.07  -0.06   0.04    -0.24   0.05  -0.13
    21   1     0.02   0.01  -0.04    -0.19  -0.05  -0.00     0.32   0.14   0.02
    22   1     0.03  -0.10  -0.15     0.04  -0.05   0.06    -0.03  -0.02  -0.06
    23   1     0.03  -0.03  -0.05    -0.00  -0.05  -0.03    -0.04  -0.01  -0.09
    24   1     0.05  -0.13  -0.02     0.03  -0.02   0.06    -0.04   0.01  -0.07
    25   1     0.02  -0.05  -0.01     0.02  -0.03   0.03    -0.04  -0.02  -0.10
    26   1    -0.09  -0.04   0.02    -0.01   0.09  -0.08     0.00   0.01   0.03
    27   1    -0.17  -0.06   0.02     0.01   0.10  -0.09    -0.02   0.10  -0.06
    28   1     0.04   0.13   0.02    -0.03  -0.02   0.06     0.04   0.01  -0.07
    29   1     0.02   0.05   0.01    -0.02  -0.03   0.03     0.04  -0.02  -0.10
    30   1     0.03   0.10   0.15    -0.04  -0.05   0.06     0.03  -0.02  -0.06
    31   1     0.03   0.02   0.05     0.00  -0.05  -0.03     0.04  -0.01  -0.09
    32   1    -0.05   0.05   0.02    -0.22   0.07  -0.29    -0.08   0.01  -0.05
    33   1     0.06   0.06   0.31     0.05   0.15   0.41     0.02   0.05   0.12
    34   1     0.06  -0.05  -0.28    -0.06   0.15   0.44    -0.02   0.05   0.13
    35   1    -0.03  -0.04  -0.04     0.22   0.07  -0.29     0.08   0.01  -0.05
    36   1    -0.17   0.07  -0.03     0.00   0.09  -0.08     0.02   0.09  -0.06
    37   1    -0.09   0.05  -0.02     0.02   0.08  -0.08    -0.00   0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.0490               982.9576               983.3173
 Red. masses --      2.2022                 2.2255                 2.2179
 Frc consts  --      1.2488                 1.2669                 1.2635
 IR Inten    --      9.7356                 1.1075                 0.0123
 RamAct Fr= 1--      0.7827                 4.4442                 4.5970
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1118                 0.6349                 0.6567
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0002
 Gamma2 Fr= 1--      0.1809                 0.3255                 0.7886
 Delta2 Fr= 1--     -0.3704                 0.5736                -1.5035
 Raman1 Fr= 1--       3.131                 17.777                 18.388
 ROA1   Fr= 1--       5.518                 49.606                 27.596
 CID1   Fr= 1--       1.762                  2.790                  1.501
 Raman2 Fr= 1--       1.342                  7.619                  7.880
 ROA2   Fr= 1--       7.306                  3.224                 30.955
 CID2   Fr= 1--       5.445                  0.423                  3.928
 Raman3 Fr= 1--       2.684                 15.237                 15.760
 ROA3   Fr= 1--       5.518                 49.606                 27.596
 CID3   Fr= 1--       2.056                  3.256                  1.751
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.00  -0.00    -0.20  -0.01  -0.00     0.00  -0.00   0.00
     2   6     0.06  -0.00  -0.00     0.20  -0.01   0.00     0.00   0.00  -0.00
     3   7    -0.03   0.01   0.00    -0.09   0.02  -0.01    -0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.03  -0.06  -0.02     0.01   0.02   0.00     0.04   0.06   0.02
     6   6     0.07   0.12  -0.00    -0.02  -0.04   0.01    -0.08  -0.13  -0.00
     7   6    -0.07  -0.12   0.01     0.01   0.03  -0.01     0.07   0.13  -0.00
     8   7     0.03   0.06  -0.02    -0.01  -0.02   0.01    -0.03  -0.06   0.02
     9   7     0.02   0.01   0.00     0.09   0.02  -0.01    -0.00   0.00  -0.00
    10   7     0.03  -0.06  -0.02    -0.01   0.02   0.00     0.04  -0.06  -0.02
    11   6    -0.07   0.12   0.00     0.02  -0.04   0.01    -0.08   0.12   0.00
    12   6     0.07  -0.12   0.01    -0.01   0.04  -0.01     0.07  -0.13   0.00
    13   7    -0.03   0.06  -0.02     0.01  -0.02   0.01    -0.03   0.06  -0.02
    14   1    -0.16   0.01   0.17     0.07   0.03  -0.05     0.15  -0.01  -0.17
    15   1     0.25   0.12   0.14    -0.10  -0.04  -0.06    -0.26  -0.14  -0.15
    16   1    -0.09   0.12   0.17     0.03   0.01  -0.04     0.08  -0.14  -0.17
    17   1     0.02  -0.26   0.14     0.02   0.05  -0.03    -0.02   0.29  -0.16
    18   1     0.09   0.12   0.17    -0.03   0.01  -0.04     0.08   0.13   0.17
    19   1    -0.02  -0.27   0.14    -0.02   0.05  -0.03    -0.02  -0.29   0.16
    20   1     0.16   0.01   0.18    -0.07   0.03  -0.05     0.14   0.01   0.17
    21   1    -0.25   0.12   0.14     0.10  -0.04  -0.06    -0.25   0.13   0.15
    22   1     0.12  -0.16  -0.04    -0.02   0.03  -0.01     0.12  -0.16  -0.03
    23   1     0.09  -0.09  -0.00    -0.05   0.07   0.01     0.10  -0.10  -0.01
    24   1    -0.08   0.19  -0.05     0.03  -0.08   0.02    -0.08   0.19  -0.03
    25   1    -0.02   0.11  -0.00    -0.01  -0.00   0.00    -0.04   0.14  -0.01
    26   1     0.06   0.01   0.00     0.19   0.03   0.05     0.00   0.00  -0.00
    27   1     0.07   0.01   0.01     0.26   0.06   0.01     0.01  -0.01   0.00
    28   1     0.08   0.19  -0.05    -0.03  -0.08   0.02    -0.08  -0.19   0.03
    29   1     0.02   0.11  -0.00     0.01  -0.00   0.00    -0.04  -0.14   0.01
    30   1    -0.12  -0.16  -0.04     0.01   0.02  -0.01     0.12   0.16   0.03
    31   1    -0.09  -0.09  -0.00     0.05   0.07   0.01     0.10   0.10   0.01
    32   1     0.03  -0.04   0.07     0.10  -0.15   0.25    -0.00  -0.00   0.00
    33   1    -0.10  -0.08  -0.04    -0.33  -0.27  -0.12    -0.00  -0.00   0.01
    34   1     0.10  -0.08  -0.04     0.33  -0.27  -0.12    -0.00   0.00  -0.01
    35   1    -0.03  -0.04   0.07    -0.10  -0.15   0.25    -0.00   0.00  -0.00
    36   1    -0.07   0.01   0.01    -0.26   0.06   0.01     0.01   0.01  -0.00
    37   1    -0.06   0.01   0.00    -0.19   0.03   0.04     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    999.5208              1001.8754              1006.9001
 Red. masses --      1.2517                 1.2631                 1.2633
 Frc consts  --      0.7368                 0.7470                 0.7546
 IR Inten    --      2.5659                 8.2692                 9.5285
 RamAct Fr= 1--      1.2072                 0.1094                 0.3382
  Dep-P Fr= 1--      0.0653                 0.7491                 0.4601
  Dep-U Fr= 1--      0.1226                 0.8566                 0.6302
 Alpha2 Fr= 1--      0.0230                 0.0000                 0.0020
 Beta2  Fr= 1--      0.0247                 0.0156                 0.0355
 AlphaG Fr= 1--     -0.0221                -0.0000                 0.0638
 Gamma2 Fr= 1--      1.0301                 0.8652                -0.8686
 Delta2 Fr= 1--      0.1099                -0.1189                -0.0087
 Raman1 Fr= 1--       4.829                  0.438                  1.353
 ROA1   Fr= 1--     102.405                 79.257                -83.659
 CID1   Fr= 1--      21.208                181.052                -61.848
 Raman2 Fr= 1--       0.296                  0.187                  0.426
 ROA2   Fr= 1--      23.843                 21.716                -20.776
 CID2   Fr= 1--      80.577                115.831                -48.741
 Raman3 Fr= 1--       0.592                  0.375                  0.852
 ROA3   Fr= 1--     102.405                 79.257                -83.659
 CID3   Fr= 1--     173.037                211.369                -98.134
 RC180  Fr= 1--      -0.755                  0.713                  0.260
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07   0.04     0.02  -0.00   0.00    -0.01   0.05   0.03
     2   6    -0.02  -0.07  -0.04    -0.02  -0.00   0.00    -0.01  -0.05  -0.03
     3   7    -0.00   0.02   0.00     0.01  -0.00  -0.01    -0.01   0.02   0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00  -0.00   0.01    -0.01   0.00  -0.01    -0.01   0.01  -0.01
     6   6    -0.02   0.03  -0.03     0.04  -0.04   0.04     0.03  -0.03   0.04
     7   6     0.04  -0.01   0.02    -0.06   0.00  -0.05    -0.04   0.01  -0.04
     8   7    -0.01  -0.00  -0.00     0.00  -0.00   0.02     0.01  -0.00   0.01
     9   7    -0.00  -0.02  -0.00    -0.01  -0.00  -0.01    -0.01  -0.02  -0.00
    10   7     0.00   0.00  -0.01     0.01   0.00  -0.01    -0.01  -0.01   0.01
    11   6    -0.02  -0.03   0.03    -0.04  -0.04   0.04     0.03   0.03  -0.04
    12   6     0.04   0.01  -0.02     0.06   0.00  -0.05    -0.04  -0.01   0.04
    13   7    -0.01   0.00   0.00    -0.00  -0.00   0.02     0.01   0.00  -0.01
    14   1    -0.13  -0.09   0.03     0.20   0.17  -0.01     0.17   0.14  -0.02
    15   1     0.12  -0.00   0.05    -0.18  -0.00  -0.09    -0.17   0.01  -0.07
    16   1    -0.02  -0.15  -0.01     0.04   0.27   0.02     0.04   0.22   0.00
    17   1    -0.05   0.09  -0.06     0.10  -0.18   0.10     0.08  -0.13   0.07
    18   1    -0.02   0.14   0.01    -0.04   0.27   0.03     0.05  -0.22  -0.01
    19   1    -0.05  -0.09   0.06    -0.10  -0.18   0.10     0.08   0.13  -0.07
    20   1    -0.13   0.09  -0.02    -0.20   0.17  -0.01     0.17  -0.14   0.02
    21   1     0.12   0.00  -0.05     0.18   0.00  -0.09    -0.17  -0.01   0.07
    22   1     0.08  -0.10  -0.02     0.13  -0.15  -0.03    -0.11   0.12   0.02
    23   1    -0.09   0.13  -0.00    -0.17   0.23  -0.01     0.13  -0.18   0.01
    24   1     0.04  -0.11   0.02     0.07  -0.18   0.04    -0.05   0.15  -0.02
    25   1    -0.08   0.15  -0.01    -0.12   0.27   0.00     0.09  -0.22  -0.01
    26   1     0.32   0.01   0.03     0.00  -0.00   0.01     0.24   0.00   0.04
    27   1    -0.22  -0.06  -0.03    -0.02   0.01  -0.01    -0.15  -0.03  -0.02
    28   1     0.04   0.12  -0.03    -0.07  -0.18   0.04    -0.05  -0.15   0.02
    29   1    -0.08  -0.16   0.01     0.12   0.27   0.00     0.09   0.22   0.01
    30   1     0.08   0.10   0.02    -0.13  -0.15  -0.03    -0.11  -0.12  -0.02
    31   1    -0.09  -0.14   0.00     0.17   0.23  -0.01     0.13   0.18  -0.01
    32   1     0.30   0.02   0.11    -0.01   0.01  -0.02     0.21   0.01   0.08
    33   1    -0.11  -0.16  -0.15     0.03   0.02   0.03    -0.08  -0.13  -0.10
    34   1    -0.11   0.16   0.15    -0.03   0.03   0.03    -0.08   0.12   0.10
    35   1     0.30  -0.02  -0.11     0.01   0.01  -0.03     0.21  -0.01  -0.08
    36   1    -0.23   0.06   0.03     0.01   0.01  -0.01    -0.15   0.03   0.02
    37   1     0.32  -0.01  -0.03     0.01  -0.00   0.01     0.24  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.9813              1049.0063              1049.9742
 Red. masses --      3.1900                 3.1931                 3.1436
 Frc consts  --      2.0681                 2.0702                 2.0419
 IR Inten    --     70.0807                49.1818                18.0325
 RamAct Fr= 1--      0.6515                 2.0150                 1.2807
  Dep-P Fr= 1--      0.7424                 0.5555                 0.1439
  Dep-U Fr= 1--      0.8521                 0.7142                 0.2516
 Alpha2 Fr= 1--      0.0001                 0.0075                 0.0201
 Beta2  Fr= 1--      0.0925                 0.2399                 0.0537
 AlphaG Fr= 1--      0.0004                 0.0412                -0.0201
 Gamma2 Fr= 1--     -1.7479                -1.1639                 1.2283
 Delta2 Fr= 1--     -1.9881                -0.4328                 0.5253
 Raman1 Fr= 1--       2.606                  8.060                  5.123
 ROA1   Fr= 1--    -231.417               -125.580                134.725
 CID1   Fr= 1--     -88.801                -15.581                 26.298
 Raman2 Fr= 1--       1.110                  2.878                  0.644
 ROA2   Fr= 1--     -26.045                -24.471                 25.276
 CID2   Fr= 1--     -23.457                 -8.501                 39.224
 Raman3 Fr= 1--       2.221                  5.757                  1.289
 ROA3   Fr= 1--    -231.417               -125.580                134.725
 CID3   Fr= 1--    -104.210                -21.814                104.534
 RC180  Fr= 1--       0.704                  0.428                 -0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.04   0.04  -0.09     0.09   0.10  -0.20
     2   6     0.00  -0.00   0.01     0.04  -0.04   0.09     0.09  -0.10   0.20
     3   7    -0.00   0.00  -0.00    -0.06   0.02  -0.01    -0.12   0.06  -0.02
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.06  -0.09  -0.05    -0.04  -0.07  -0.04     0.02   0.03   0.02
     6   6    -0.07   0.13   0.14    -0.05   0.10   0.10     0.03  -0.05  -0.05
     7   6     0.15   0.00  -0.14     0.11   0.01  -0.10    -0.05  -0.00   0.05
     8   7    -0.05  -0.09   0.06    -0.04  -0.07   0.04     0.02   0.03  -0.02
     9   7    -0.01  -0.00  -0.00    -0.06  -0.02   0.01    -0.12  -0.06   0.02
    10   7     0.05  -0.07  -0.04    -0.05   0.08   0.05     0.02  -0.03  -0.02
    11   6     0.06   0.11   0.11    -0.06  -0.12  -0.13     0.03   0.05   0.05
    12   6    -0.12   0.00  -0.12     0.14  -0.01   0.13    -0.06   0.00  -0.05
    13   7     0.04  -0.08   0.05    -0.04   0.09  -0.05     0.02  -0.03   0.02
    14   1    -0.05   0.23   0.16    -0.04   0.16   0.11     0.02  -0.09  -0.06
    15   1    -0.19   0.25   0.16    -0.15   0.19   0.12     0.08  -0.10  -0.07
    16   1     0.21   0.06  -0.16     0.16   0.05  -0.12    -0.09  -0.03   0.06
    17   1     0.33  -0.04  -0.17     0.24  -0.03  -0.13    -0.12   0.02   0.06
    18   1    -0.17   0.05  -0.13     0.20  -0.06   0.15    -0.09   0.03  -0.06
    19   1    -0.27  -0.04  -0.15     0.30   0.04   0.16    -0.13  -0.02  -0.07
    20   1     0.04   0.20   0.14    -0.05  -0.20  -0.14     0.02   0.09   0.06
    21   1     0.16   0.21   0.14    -0.19  -0.24  -0.15     0.08   0.11   0.07
    22   1    -0.07   0.08  -0.04     0.09  -0.10   0.05    -0.03   0.03  -0.02
    23   1    -0.01  -0.02  -0.05    -0.00   0.04   0.06     0.01  -0.02  -0.02
    24   1    -0.04   0.11   0.04     0.04  -0.12  -0.04    -0.01   0.03   0.02
    25   1     0.04  -0.03   0.06    -0.03   0.02  -0.06     0.01  -0.01   0.02
    26   1    -0.01  -0.01   0.01    -0.05  -0.03   0.02    -0.04  -0.06   0.05
    27   1     0.02  -0.00   0.00     0.10  -0.02   0.03     0.15  -0.04   0.05
    28   1     0.05   0.14   0.05     0.03   0.10   0.04    -0.01  -0.03  -0.02
    29   1    -0.04  -0.03   0.07    -0.02  -0.01   0.04     0.01   0.01  -0.02
    30   1     0.09   0.10  -0.05     0.07   0.08  -0.04    -0.03  -0.03   0.02
    31   1     0.01  -0.03  -0.06    -0.00  -0.03  -0.05     0.01   0.02   0.02
    32   1    -0.00   0.00  -0.01     0.06   0.05  -0.12     0.19   0.11  -0.24
    33   1     0.01   0.01  -0.02     0.08   0.05  -0.16     0.15   0.07  -0.41
    34   1     0.00  -0.00   0.01     0.08  -0.05   0.16     0.15  -0.07   0.41
    35   1     0.02  -0.01   0.02     0.06  -0.05   0.12     0.19  -0.11   0.24
    36   1    -0.00   0.00  -0.00     0.10   0.02  -0.03     0.15   0.04  -0.05
    37   1     0.00  -0.00   0.00    -0.05   0.03  -0.02    -0.04   0.06  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.6536              1114.7610              1122.3411
 Red. masses --      1.0219                 1.0233                 1.0312
 Frc consts  --      0.7481                 0.7492                 0.7653
 IR Inten    --      0.9855                 0.5359                 0.1790
 RamAct Fr= 1--      0.7196                 0.7523                 0.4063
  Dep-P Fr= 1--      0.7480                 0.7496                 0.7500
  Dep-U Fr= 1--      0.8558                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1026                 0.1074                 0.0580
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.6404                -0.3775                 0.0886
 Delta2 Fr= 1--      0.1782                -0.0740                -0.0659
 Raman1 Fr= 1--       2.878                  3.009                  1.625
 ROA1   Fr= 1--      67.185                -38.608                  6.396
 CID1   Fr= 1--      23.341                -12.830                  3.936
 Raman2 Fr= 1--       1.232                  1.289                  0.696
 ROA2   Fr= 1--      13.945                 -8.468                  2.653
 CID2   Fr= 1--      11.321                 -6.569                  3.810
 Raman3 Fr= 1--       2.464                  2.578                  1.393
 ROA3   Fr= 1--      67.185                -38.608                  6.396
 CID3   Fr= 1--      27.272                -14.973                  4.592
 RC180  Fr= 1--       0.712                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.00
     3   7    -0.01   0.00  -0.01     0.01  -0.01   0.01    -0.02   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.01   0.01
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.01  -0.00
     7   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     8   7     0.01   0.01  -0.01     0.00  -0.00   0.00    -0.01  -0.00   0.01
     9   7     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.02   0.00   0.00
    10   7    -0.00   0.01   0.00    -0.00   0.01   0.00     0.01   0.01   0.01
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
    13   7     0.01  -0.00   0.00     0.01  -0.01   0.01     0.01  -0.00   0.01
    14   1    -0.05   0.26   0.18     0.00  -0.01  -0.01     0.04  -0.20  -0.14
    15   1     0.01  -0.15  -0.13    -0.00   0.02   0.01     0.01   0.09   0.09
    16   1    -0.25  -0.07   0.19     0.02   0.02  -0.01     0.18   0.06  -0.14
    17   1     0.12   0.05  -0.12     0.00  -0.00  -0.00    -0.07  -0.06   0.09
    18   1    -0.14   0.04  -0.11    -0.21   0.07  -0.16    -0.18   0.06  -0.14
    19   1     0.08  -0.03   0.08     0.09  -0.04   0.09     0.07  -0.06   0.09
    20   1    -0.03  -0.16  -0.11    -0.04  -0.21  -0.15    -0.04  -0.20  -0.14
    21   1     0.01   0.08   0.07     0.01   0.12   0.11    -0.01   0.09   0.09
    22   1    -0.06   0.07   0.05    -0.09   0.10   0.06    -0.10   0.12   0.07
    23   1     0.12  -0.20  -0.02     0.18  -0.27  -0.02     0.13  -0.22  -0.02
    24   1     0.03  -0.08   0.05     0.05  -0.15   0.07     0.05  -0.13   0.07
    25   1    -0.11   0.20  -0.02    -0.14   0.26  -0.03    -0.13   0.23  -0.03
    26   1    -0.16  -0.02   0.00     0.34   0.03  -0.00    -0.28  -0.02  -0.02
    27   1     0.11   0.05   0.00    -0.18  -0.10   0.00     0.08   0.06   0.00
    28   1     0.06   0.17  -0.09    -0.01  -0.03   0.01    -0.04  -0.13   0.07
    29   1    -0.17  -0.33   0.04     0.00   0.01   0.00     0.13   0.23  -0.03
    30   1    -0.11  -0.12  -0.08     0.01   0.01   0.00     0.10   0.12   0.07
    31   1     0.21   0.33   0.02    -0.02  -0.02  -0.00    -0.13  -0.22  -0.02
    32   1    -0.08  -0.05   0.10     0.19   0.11  -0.22    -0.14  -0.08   0.17
    33   1     0.04   0.03  -0.03    -0.11  -0.08   0.10     0.08   0.06  -0.10
    34   1    -0.06   0.04  -0.06     0.10  -0.08   0.09    -0.08   0.06  -0.10
    35   1     0.09  -0.05   0.10    -0.19   0.10  -0.22     0.14  -0.08   0.17
    36   1    -0.07   0.04  -0.00     0.20  -0.10  -0.00    -0.08   0.05   0.00
    37   1     0.16  -0.02   0.00    -0.34   0.03  -0.01     0.28  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1169.7392              1172.2164              1187.5741
 Red. masses --      1.0756                 1.0709                 1.0598
 Frc consts  --      0.8671                 0.8670                 0.8807
 IR Inten    --     75.6774                66.4289                 1.6260
 RamAct Fr= 1--      8.9321                 9.1431                 9.6607
  Dep-P Fr= 1--      0.7500                 0.7368                 0.3236
  Dep-U Fr= 1--      0.8571                 0.8485                 0.4890
 Alpha2 Fr= 1--      0.0000                 0.0021                 0.0922
 Beta2  Fr= 1--      1.2760                 1.2929                 0.7873
 AlphaG Fr= 1--      0.0000                 0.0328                 0.1276
 Gamma2 Fr= 1--     -3.8933                -0.0863                -1.3610
 Delta2 Fr= 1--      2.6480                 4.5401                -5.6185
 Raman1 Fr= 1--      35.728                 36.572                 38.643
 ROA1   Fr= 1--    -289.021                136.997               -310.443
 CID1   Fr= 1--      -8.089                  3.746                 -8.034
 Raman2 Fr= 1--      15.312                 15.515                  9.448
 ROA2   Fr= 1--    -114.623                -38.392                 12.284
 CID2   Fr= 1--      -7.486                 -2.475                  1.300
 Raman3 Fr= 1--      30.624                 31.030                 18.896
 ROA3   Fr= 1--    -289.021                136.997               -310.443
 CID3   Fr= 1--      -9.438                  4.415                -16.429
 RC180  Fr= 1--       0.714                  0.697                 -0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7     0.00  -0.00  -0.00    -0.03   0.00   0.02    -0.03   0.01   0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
     8   7    -0.00  -0.04  -0.00    -0.00  -0.02   0.00    -0.00   0.03  -0.00
     9   7    -0.00  -0.00  -0.00    -0.03  -0.00  -0.02    -0.03  -0.01  -0.01
    10   7     0.03  -0.02   0.00    -0.02   0.01  -0.00     0.01  -0.01  -0.01
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    13   7     0.00  -0.04  -0.00    -0.00   0.02  -0.00     0.00  -0.03   0.00
    14   1     0.01   0.02   0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    15   1     0.06  -0.22  -0.18     0.03  -0.14  -0.12    -0.01   0.17   0.15
    16   1     0.02   0.01  -0.01     0.03   0.01  -0.02    -0.01  -0.02   0.01
    17   1    -0.22  -0.06   0.19    -0.15  -0.04   0.13     0.17   0.06  -0.16
    18   1    -0.02   0.01  -0.01     0.03  -0.01   0.02    -0.01   0.02  -0.01
    19   1     0.21  -0.06   0.18    -0.16   0.04  -0.13     0.17  -0.06   0.16
    20   1    -0.01   0.02   0.00    -0.00   0.00   0.00    -0.02   0.03   0.01
    21   1    -0.06  -0.22  -0.17     0.03   0.14   0.12    -0.01  -0.17  -0.15
    22   1    -0.20   0.28  -0.00     0.14  -0.20   0.01    -0.14   0.18   0.01
    23   1    -0.16   0.11  -0.04     0.11  -0.07   0.03    -0.10   0.07  -0.03
    24   1    -0.14   0.31   0.01     0.09  -0.21   0.01    -0.11   0.26  -0.01
    25   1    -0.02   0.20   0.03     0.02  -0.15  -0.03    -0.01   0.14   0.03
    26   1     0.04   0.00   0.01     0.20  -0.00   0.10     0.18  -0.00   0.08
    27   1     0.04  -0.00   0.00     0.35   0.01   0.04     0.32   0.01   0.04
    28   1     0.15   0.32   0.01     0.09   0.20  -0.01    -0.11  -0.26   0.01
    29   1     0.02   0.21   0.04     0.02   0.15   0.02    -0.01  -0.14  -0.03
    30   1     0.20   0.28  -0.00     0.13   0.19  -0.01    -0.13  -0.18  -0.01
    31   1     0.16   0.12  -0.04     0.10   0.07  -0.02    -0.10  -0.07   0.03
    32   1     0.00   0.01  -0.02     0.02   0.01  -0.02     0.01   0.01  -0.02
    33   1    -0.01  -0.02   0.02    -0.17  -0.12   0.23    -0.16  -0.12   0.20
    34   1     0.01  -0.01   0.01    -0.17   0.12  -0.23    -0.16   0.12  -0.20
    35   1    -0.00   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.01   0.02
    36   1    -0.03  -0.01   0.00     0.35  -0.01  -0.04     0.32  -0.01  -0.04
    37   1    -0.03   0.00   0.00     0.20   0.00  -0.10     0.18   0.00  -0.08
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1220.9687              1225.8555              1244.6043
 Red. masses --      1.2511                 1.2539                 1.2432
 Frc consts  --      1.0989                 1.1102                 1.1346
 IR Inten    --     10.0385                 4.2227                23.5377
 RamAct Fr= 1--      7.2080                 6.6842                 1.0015
  Dep-P Fr= 1--      0.7478                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8557                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      1.0280                 0.9549                 0.1431
 AlphaG Fr= 1--     -0.0005                 0.0000                 0.0000
 Gamma2 Fr= 1--      5.2471                -0.9680                -0.4323
 Delta2 Fr= 1--      0.6388                -0.0222                -0.1615
 Raman1 Fr= 1--      28.832                 26.737                  4.006
 ROA1   Fr= 1--     524.165                -93.632                -46.673
 CID1   Fr= 1--      18.180                 -3.502                -11.650
 Raman2 Fr= 1--      12.335                 11.459                  1.717
 ROA2   Fr= 1--     120.820                -23.054                 -9.083
 CID2   Fr= 1--       9.795                 -2.012                 -5.291
 Raman3 Fr= 1--      24.671                 22.917                  3.434
 ROA3   Fr= 1--     524.165                -93.632                -46.673
 CID3   Fr= 1--      21.246                 -4.086                -13.592
 RC180  Fr= 1--       0.711                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.04  -0.00   0.02    -0.03   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.04  -0.00   0.02     0.03   0.00  -0.01
     3   7    -0.00   0.00   0.00     0.05  -0.00  -0.03    -0.04  -0.00   0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.05   0.03  -0.01    -0.03  -0.02   0.01    -0.04  -0.02   0.00
     6   6    -0.03  -0.02   0.01     0.01   0.02  -0.01     0.02   0.02   0.00
     7   6     0.01   0.04   0.01    -0.00  -0.03   0.00    -0.00  -0.03  -0.00
     8   7    -0.00  -0.05  -0.01    -0.00   0.04   0.00    -0.00   0.04   0.00
     9   7    -0.00  -0.00  -0.00    -0.05  -0.00  -0.03     0.04  -0.00   0.02
    10   7     0.05  -0.03   0.01     0.03  -0.02   0.01     0.04  -0.02   0.00
    11   6    -0.03   0.02  -0.01    -0.01   0.02  -0.01    -0.02   0.02   0.00
    12   6     0.01  -0.04  -0.01     0.00  -0.03   0.00     0.00  -0.03  -0.00
    13   7    -0.00   0.05   0.01     0.00   0.04   0.00     0.00   0.04   0.00
    14   1    -0.00   0.03   0.00    -0.02  -0.03  -0.01     0.01   0.05   0.04
    15   1    -0.08   0.08   0.08     0.07  -0.02  -0.01     0.08  -0.10  -0.08
    16   1    -0.03  -0.02   0.01     0.03  -0.00  -0.01    -0.03  -0.02   0.04
    17   1    -0.09   0.06   0.04     0.07  -0.01  -0.06     0.09  -0.03  -0.06
    18   1    -0.03   0.02  -0.01    -0.03  -0.00  -0.01     0.03  -0.02   0.04
    19   1    -0.09  -0.06  -0.04    -0.07  -0.01  -0.06    -0.10  -0.03  -0.06
    20   1    -0.00  -0.03  -0.00     0.02  -0.03  -0.01    -0.01   0.05   0.04
    21   1    -0.07  -0.08  -0.08    -0.08  -0.02  -0.01    -0.08  -0.10  -0.08
    22   1    -0.26   0.36   0.01    -0.15   0.22  -0.02    -0.19   0.27   0.02
    23   1    -0.17   0.08  -0.06    -0.11   0.06  -0.02    -0.15   0.08  -0.06
    24   1     0.18  -0.38  -0.00     0.13  -0.28   0.03     0.12  -0.26   0.02
    25   1    -0.02  -0.18  -0.04    -0.02  -0.11  -0.04    -0.01  -0.16  -0.05
    26   1     0.02  -0.00   0.02     0.18  -0.01   0.14    -0.14   0.00  -0.10
    27   1     0.02  -0.01   0.00     0.45   0.04   0.03    -0.39  -0.02  -0.04
    28   1     0.18   0.39   0.00    -0.12  -0.27   0.03    -0.12  -0.26   0.02
    29   1    -0.02   0.18   0.04     0.02  -0.10  -0.04     0.01  -0.16  -0.05
    30   1    -0.26  -0.37  -0.01     0.14   0.21  -0.02     0.19   0.26   0.02
    31   1    -0.18  -0.08   0.06     0.11   0.06  -0.02     0.15   0.08  -0.05
    32   1     0.01   0.00  -0.01    -0.01   0.01   0.01     0.03  -0.00  -0.02
    33   1    -0.01   0.00   0.02    -0.02  -0.02   0.14     0.01   0.02  -0.10
    34   1    -0.01  -0.00  -0.03     0.02  -0.02   0.14    -0.01   0.02  -0.10
    35   1     0.01  -0.00   0.01     0.01   0.01   0.01    -0.03  -0.00  -0.02
    36   1     0.02   0.01  -0.00    -0.45   0.04   0.03     0.39  -0.01  -0.04
    37   1     0.03   0.00  -0.02    -0.18  -0.01   0.14     0.14   0.00  -0.10
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2763              1292.8694              1298.2383
 Red. masses --      1.3918                 1.3945                 1.3675
 Frc consts  --      1.3694                 1.3734                 1.3580
 IR Inten    --      1.0600                 0.2030                 0.5098
 RamAct Fr= 1--      0.4330                 6.2404                 4.4339
  Dep-P Fr= 1--      0.7466                 0.1015                 0.4812
  Dep-U Fr= 1--      0.8550                 0.1844                 0.6498
 Alpha2 Fr= 1--      0.0000                 0.1088                 0.0238
 Beta2  Fr= 1--      0.0617                 0.1917                 0.4802
 AlphaG Fr= 1--      0.0000                 0.0156                -0.0217
 Gamma2 Fr= 1--      0.1021                -0.8532                -0.5299
 Delta2 Fr= 1--     -0.1719                -0.7272                 0.5492
 Raman1 Fr= 1--       1.732                 24.962                 17.736
 ROA1   Fr= 1--       4.299               -105.175                -33.300
 CID1   Fr= 1--       2.482                 -4.213                 -1.878
 Raman2 Fr= 1--       0.740                  2.301                  5.762
 ROA2   Fr= 1--       3.825                -14.658                -17.112
 CID2   Fr= 1--       5.166                 -6.371                 -2.970
 Raman3 Fr= 1--       1.481                  4.602                 11.524
 ROA3   Fr= 1--       4.299               -105.175                -33.300
 CID3   Fr= 1--       2.903                -22.856                 -2.890
 RC180  Fr= 1--       0.710                 -0.631                  0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.10  -0.04    -0.01   0.05   0.01
     2   6     0.00   0.00  -0.00     0.01   0.10   0.04    -0.01  -0.05  -0.01
     3   7    -0.01  -0.00   0.00    -0.02  -0.03  -0.02     0.02   0.02   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.02   0.02    -0.01   0.01  -0.01    -0.01   0.02  -0.01
     6   6    -0.05   0.03  -0.06     0.03  -0.02   0.03     0.04  -0.03   0.05
     7   6     0.05  -0.02   0.06    -0.03   0.01  -0.03    -0.05   0.03  -0.05
     8   7    -0.03  -0.01  -0.02     0.01   0.00   0.01     0.02  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.02   0.03   0.02     0.02  -0.02  -0.01
    10   7    -0.02  -0.02   0.02    -0.01  -0.01   0.01    -0.01  -0.02   0.01
    11   6     0.05   0.03  -0.06     0.02   0.02  -0.03     0.04   0.03  -0.05
    12   6    -0.05  -0.02   0.06    -0.03  -0.01   0.03    -0.05  -0.03   0.05
    13   7     0.03  -0.01  -0.02     0.01  -0.00  -0.01     0.02   0.00  -0.01
    14   1    -0.23   0.09   0.14     0.10  -0.04  -0.06     0.20  -0.12  -0.14
    15   1     0.08   0.01   0.02    -0.05   0.01  -0.00    -0.09   0.04   0.02
    16   1     0.18  -0.15  -0.13    -0.08   0.09   0.06    -0.19   0.12   0.13
    17   1    -0.04   0.09  -0.02     0.02  -0.03  -0.01     0.06  -0.06  -0.00
    18   1    -0.18  -0.16  -0.13    -0.08  -0.08  -0.06    -0.19  -0.12  -0.13
    19   1     0.04   0.09  -0.02     0.02   0.02   0.01     0.06   0.06   0.00
    20   1     0.23   0.09   0.14     0.10   0.04   0.05     0.20   0.12   0.15
    21   1    -0.08   0.01   0.02    -0.04  -0.01   0.00    -0.09  -0.04  -0.02
    22   1     0.13  -0.16  -0.10     0.05  -0.06  -0.05     0.09  -0.11  -0.09
    23   1    -0.15   0.28   0.07    -0.07   0.13   0.03    -0.13   0.24   0.05
    24   1     0.05  -0.14   0.11     0.02  -0.06   0.05     0.06  -0.16   0.10
    25   1    -0.17   0.30  -0.07    -0.07   0.13  -0.03    -0.14   0.23  -0.06
    26   1    -0.02   0.00  -0.02     0.39   0.08  -0.04    -0.23  -0.05   0.02
    27   1    -0.05  -0.00  -0.01    -0.23  -0.14   0.01     0.13   0.08  -0.01
    28   1    -0.05  -0.14   0.11     0.02   0.07  -0.06     0.06   0.16  -0.10
    29   1     0.17   0.29  -0.07    -0.08  -0.14   0.04    -0.14  -0.22   0.06
    30   1    -0.12  -0.16  -0.10     0.05   0.07   0.05     0.09   0.11   0.09
    31   1     0.15   0.28   0.07    -0.07  -0.14  -0.03    -0.13  -0.24  -0.05
    32   1     0.00  -0.00  -0.00    -0.03   0.06  -0.36     0.05  -0.01   0.13
    33   1     0.01   0.01  -0.01     0.04   0.04   0.11    -0.08  -0.06   0.02
    34   1    -0.00   0.01  -0.01     0.04  -0.04  -0.11    -0.08   0.06  -0.02
    35   1    -0.00  -0.00   0.01    -0.03  -0.06   0.36     0.05   0.01  -0.13
    36   1     0.05   0.00  -0.01    -0.23   0.14  -0.02     0.13  -0.08   0.01
    37   1     0.03  -0.00  -0.01     0.39  -0.08   0.05    -0.23   0.05  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.0734              1332.4054              1341.4749
 Red. masses --      1.1833                 1.1875                 1.1773
 Frc consts  --      1.2352                 1.2421                 1.2482
 IR Inten    --     26.0411                24.1301                 0.1840
 RamAct Fr= 1--      0.9768                 3.4828                 2.9019
  Dep-P Fr= 1--      0.7500                 0.7323                 0.1947
  Dep-U Fr= 1--      0.8571                 0.8454                 0.3259
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0400
 Beta2  Fr= 1--      0.1395                 0.4907                 0.1576
 AlphaG Fr= 1--      0.0000                 0.0126                -0.0351
 Gamma2 Fr= 1--      3.8472                -0.2647                -0.3788
 Delta2 Fr= 1--      1.8449                -1.2099                -0.0085
 Raman1 Fr= 1--       3.907                 13.931                 11.608
 ROA1   Fr= 1--     428.371                -64.133                -36.636
 CID1   Fr= 1--     109.638                 -4.604                 -3.156
 Raman2 Fr= 1--       1.674                  5.889                  1.892
 ROA2   Fr= 1--      77.575                  3.325                 -9.023
 CID2   Fr= 1--      46.328                  0.565                 -4.770
 Raman3 Fr= 1--       3.349                 11.778                  3.783
 ROA3   Fr= 1--     428.371                -64.133                -36.636
 CID3   Fr= 1--     127.911                 -5.445                 -9.683
 RC180  Fr= 1--       0.714                  0.691                 -0.348
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.01   0.05    -0.01  -0.00  -0.02
     2   6     0.00   0.00   0.00     0.01   0.01  -0.05    -0.01   0.00   0.02
     3   7    -0.00  -0.00   0.00    -0.05  -0.03   0.02     0.02   0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.02  -0.03   0.03    -0.01  -0.02   0.02    -0.02  -0.03   0.03
     6   6     0.03  -0.01  -0.02     0.02  -0.01  -0.01     0.02  -0.00  -0.02
     7   6    -0.02   0.02   0.02    -0.02   0.01   0.00    -0.01   0.02   0.02
     8   7    -0.02  -0.04  -0.03    -0.00  -0.02  -0.01    -0.02  -0.03  -0.02
     9   7     0.01  -0.00   0.00    -0.05   0.03  -0.02     0.02  -0.01   0.01
    10   7     0.02  -0.03   0.03    -0.01   0.01  -0.02    -0.02   0.03  -0.03
    11   6    -0.03  -0.01  -0.02     0.02   0.01   0.01     0.02   0.00   0.02
    12   6     0.02   0.02   0.02    -0.02  -0.01  -0.00    -0.01  -0.02  -0.02
    13   7     0.02  -0.04  -0.03    -0.00   0.01   0.01    -0.02   0.03   0.02
    14   1     0.08  -0.20  -0.16     0.04  -0.12  -0.09     0.03  -0.17  -0.12
    15   1    -0.00   0.24   0.20    -0.02   0.15   0.12     0.00   0.21   0.17
    16   1    -0.22  -0.05   0.17    -0.10   0.01   0.08    -0.16  -0.06   0.13
    17   1     0.24   0.13  -0.23     0.08   0.05  -0.10     0.19   0.11  -0.18
    18   1     0.22  -0.04   0.17    -0.09  -0.02  -0.08    -0.16   0.06  -0.13
    19   1    -0.24   0.12  -0.23     0.08  -0.05   0.09     0.19  -0.11   0.18
    20   1    -0.08  -0.20  -0.16     0.04   0.12   0.09     0.03   0.17   0.12
    21   1     0.00   0.24   0.21    -0.02  -0.14  -0.11     0.00  -0.21  -0.17
    22   1    -0.06   0.10  -0.03     0.03  -0.06   0.03     0.06  -0.10   0.05
    23   1    -0.13   0.13   0.01     0.07  -0.06  -0.00     0.17  -0.17  -0.01
    24   1    -0.07   0.12   0.04     0.03  -0.07   0.00     0.05  -0.09  -0.04
    25   1    -0.04   0.20  -0.02    -0.01  -0.05  -0.01     0.07  -0.23   0.02
    26   1    -0.03  -0.00  -0.01     0.25   0.05   0.07    -0.13  -0.02  -0.04
    27   1    -0.02   0.01  -0.00     0.15  -0.04   0.02    -0.12   0.02  -0.02
    28   1     0.06   0.12   0.04     0.03   0.07   0.00     0.05   0.09   0.04
    29   1     0.04   0.20  -0.02    -0.01   0.06   0.01     0.07   0.23  -0.02
    30   1     0.06   0.10  -0.03     0.04   0.06  -0.03     0.06   0.10  -0.05
    31   1     0.13   0.12   0.01     0.07   0.06   0.00     0.17   0.16   0.01
    32   1     0.01   0.01  -0.02    -0.18  -0.11   0.26     0.11   0.07  -0.16
    33   1    -0.02  -0.02   0.01     0.27   0.20  -0.25    -0.12  -0.08   0.11
    34   1     0.02  -0.01   0.01     0.27  -0.20   0.25    -0.12   0.08  -0.11
    35   1    -0.01   0.01  -0.01    -0.18   0.11  -0.26     0.11  -0.07   0.16
    36   1     0.02   0.01  -0.00     0.15   0.04  -0.02    -0.12  -0.02   0.02
    37   1     0.02  -0.00  -0.01     0.25  -0.04  -0.07    -0.13   0.02   0.04
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.7371              1348.0922              1351.6983
 Red. masses --      1.1923                 1.1884                 1.1988
 Frc consts  --      1.2760                 1.2725                 1.2905
 IR Inten    --      3.5102                12.8988                 6.4387
 RamAct Fr= 1--      8.3889                14.4465                 5.4714
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      1.1984                 2.0630                 0.7816
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      8.7398               -11.7153                -2.5047
 Delta2 Fr= 1--      1.5136                -0.9594                 0.3235
 Raman1 Fr= 1--      33.555                 57.786                 21.885
 ROA1   Fr= 1--     887.454              -1155.372               -230.105
 CID1   Fr= 1--      26.447                -19.994                -10.514
 Raman2 Fr= 1--      14.381                 24.757                  9.379
 ROA2   Fr= 1--     197.646               -273.492                -62.702
 CID2   Fr= 1--      13.744                -11.047                 -6.685
 Raman3 Fr= 1--      28.762                 49.513                 18.759
 ROA3   Fr= 1--     887.454              -1155.372               -230.105
 CID3   Fr= 1--      30.855                -23.335                -12.267
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
     2   6    -0.02   0.06  -0.01    -0.00  -0.00   0.00     0.01  -0.01   0.00
     3   7    -0.04  -0.05  -0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.03   0.03    -0.01  -0.03   0.03
     6   6    -0.00  -0.00  -0.01    -0.02  -0.01  -0.04    -0.01  -0.02  -0.04
     7   6     0.00   0.00  -0.01     0.00   0.02  -0.04     0.01   0.02  -0.04
     8   7     0.00   0.01   0.01     0.02   0.01   0.03     0.02   0.02   0.03
     9   7     0.04  -0.05  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    10   7    -0.00  -0.00   0.00     0.00   0.03  -0.03     0.01  -0.03   0.03
    11   6     0.00  -0.00  -0.00    -0.02   0.01   0.04     0.01  -0.02  -0.04
    12   6    -0.00   0.00  -0.01     0.00  -0.02   0.04    -0.01   0.02  -0.04
    13   7    -0.00   0.01   0.01     0.02  -0.01  -0.03    -0.02   0.02   0.03
    14   1    -0.01  -0.02  -0.01    -0.05  -0.15  -0.09    -0.05  -0.14  -0.08
    15   1    -0.01   0.04   0.03    -0.06   0.27   0.21    -0.06   0.30   0.23
    16   1     0.02   0.00  -0.02     0.12   0.12  -0.11     0.07   0.10  -0.07
    17   1    -0.05  -0.03   0.07    -0.27  -0.09   0.22    -0.26  -0.07   0.21
    18   1    -0.02   0.00  -0.02     0.12  -0.12   0.11    -0.08   0.11  -0.07
    19   1     0.05  -0.03   0.06    -0.27   0.09  -0.23     0.26  -0.08   0.21
    20   1     0.01  -0.02  -0.01    -0.05   0.15   0.09     0.05  -0.14  -0.08
    21   1     0.01   0.03   0.02    -0.06  -0.27  -0.21     0.06   0.30   0.23
    22   1     0.01  -0.01  -0.01    -0.04   0.04   0.08     0.01   0.00  -0.08
    23   1    -0.01   0.02   0.01     0.15  -0.22  -0.05    -0.18   0.23   0.04
    24   1     0.00   0.00  -0.01     0.00  -0.03   0.08     0.00   0.02  -0.08
    25   1     0.01  -0.04   0.00    -0.11   0.24  -0.05     0.10  -0.24   0.05
    26   1    -0.37  -0.08  -0.01    -0.02  -0.00  -0.01     0.05   0.01  -0.01
    27   1     0.05   0.11  -0.02    -0.03   0.00  -0.00    -0.06  -0.02  -0.00
    28   1    -0.00   0.00  -0.02     0.00   0.03  -0.08    -0.00   0.02  -0.07
    29   1    -0.01  -0.05   0.01    -0.10  -0.24   0.05    -0.09  -0.23   0.04
    30   1    -0.01  -0.01  -0.01    -0.04  -0.04  -0.08    -0.01   0.00  -0.08
    31   1     0.02   0.03   0.01     0.15   0.22   0.05     0.18   0.23   0.04
    32   1     0.23   0.11  -0.09     0.02   0.01  -0.03    -0.04  -0.02   0.01
    33   1    -0.29  -0.19   0.35    -0.01  -0.01   0.01     0.05   0.03  -0.07
    34   1     0.29  -0.19   0.36    -0.02   0.01  -0.02    -0.05   0.03  -0.07
    35   1    -0.23   0.10  -0.09     0.02  -0.02   0.03     0.04  -0.02   0.01
    36   1    -0.05   0.11  -0.02    -0.02  -0.01   0.00     0.06  -0.02  -0.00
    37   1     0.37  -0.08  -0.01    -0.03   0.01   0.01    -0.05   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.4549              1405.0486              1407.6406
 Red. masses --      1.2682                 1.2707                 1.2598
 Frc consts  --      1.4739                 1.4780                 1.4707
 IR Inten    --      0.8605                 0.1242                 2.3214
 RamAct Fr= 1--      1.3996                 2.5825                 0.8351
  Dep-P Fr= 1--      0.7500                 0.7496                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1999                 0.3688                 0.1193
 AlphaG Fr= 1--     -0.0000                -0.0002                 0.0000
 Gamma2 Fr= 1--     -1.8339                 3.3859                 1.0099
 Delta2 Fr= 1--     -0.7365                 1.6596                 0.5386
 Raman1 Fr= 1--       5.599                 10.330                  3.340
 ROA1   Fr= 1--    -199.619                378.154                114.188
 CID1   Fr= 1--     -35.655                 36.608                 34.185
 Raman2 Fr= 1--       2.399                  4.426                  1.432
 ROA2   Fr= 1--     -38.120                 67.985                 19.929
 CID2   Fr= 1--     -15.888                 15.361                 13.921
 Raman3 Fr= 1--       4.799                  8.851                  2.863
 ROA3   Fr= 1--    -199.619                378.154                114.188
 CID3   Fr= 1--     -41.598                 42.723                 39.882
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.08     0.00   0.00  -0.00    -0.01  -0.00   0.02
     2   6    -0.06   0.00  -0.08     0.00  -0.00   0.00     0.01  -0.00   0.02
     3   7    -0.01   0.02   0.03    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.02   0.00  -0.01    -0.02   0.01  -0.01
     6   6     0.01  -0.02  -0.01     0.03  -0.06  -0.02     0.03  -0.06  -0.02
     7   6     0.01   0.00  -0.00     0.07   0.01  -0.02     0.07   0.01  -0.02
     8   7    -0.00   0.00  -0.00    -0.02   0.02  -0.01    -0.02   0.01  -0.01
     9   7     0.01   0.02   0.03    -0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   7     0.01   0.00  -0.00    -0.02  -0.01   0.01     0.02   0.01  -0.01
    11   6    -0.01  -0.02  -0.01     0.03   0.06   0.02    -0.02  -0.06  -0.02
    12   6    -0.01   0.00  -0.00     0.07  -0.01   0.02    -0.07   0.01  -0.02
    13   7     0.00   0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.01
    14   1    -0.01   0.08   0.06    -0.04   0.29   0.22    -0.03   0.29   0.22
    15   1    -0.02   0.05   0.04    -0.10   0.21   0.15    -0.09   0.18   0.14
    16   1    -0.05  -0.01   0.05    -0.27  -0.11   0.23    -0.26  -0.12   0.23
    17   1    -0.05   0.01   0.02    -0.23  -0.01   0.16    -0.21  -0.01   0.14
    18   1     0.05  -0.01   0.05    -0.27   0.11  -0.23     0.26  -0.11   0.23
    19   1     0.05   0.01   0.02    -0.23   0.01  -0.16     0.20  -0.01   0.14
    20   1     0.01   0.09   0.06    -0.04  -0.29  -0.22     0.03   0.29   0.22
    21   1     0.02   0.05   0.04    -0.10  -0.21  -0.16     0.09   0.18   0.14
    22   1    -0.02   0.03   0.01     0.07  -0.10  -0.04    -0.06   0.08   0.06
    23   1     0.02  -0.04  -0.01    -0.05   0.11   0.04     0.07  -0.13  -0.04
    24   1     0.01  -0.02   0.01    -0.05   0.10  -0.05     0.04  -0.09   0.06
    25   1    -0.01   0.03  -0.01     0.07  -0.09   0.04    -0.08   0.13  -0.04
    26   1     0.17   0.05  -0.04     0.00   0.00   0.00    -0.03  -0.01   0.01
    27   1    -0.15  -0.07   0.01     0.00  -0.00   0.00     0.07   0.02   0.00
    28   1    -0.01  -0.02   0.01    -0.05  -0.10   0.05    -0.04  -0.09   0.06
    29   1     0.01   0.03  -0.01     0.07   0.09  -0.04     0.08   0.13  -0.04
    30   1     0.02   0.03   0.01     0.07   0.10   0.04     0.06   0.08   0.06
    31   1    -0.01  -0.04  -0.01    -0.05  -0.11  -0.04    -0.07  -0.13  -0.04
    32   1    -0.32  -0.21   0.33    -0.01  -0.00   0.01     0.08   0.05  -0.07
    33   1    -0.18  -0.12   0.32    -0.00  -0.01   0.00     0.04   0.03  -0.07
    34   1     0.18  -0.12   0.32    -0.00   0.00   0.00    -0.04   0.03  -0.07
    35   1     0.32  -0.21   0.33    -0.01   0.00  -0.01    -0.08   0.05  -0.07
    36   1     0.15  -0.06   0.01     0.00   0.00  -0.00    -0.07   0.02   0.00
    37   1    -0.17   0.05  -0.04     0.00  -0.00  -0.00     0.03  -0.01   0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.6752              1443.8012              1445.7408
 Red. masses --      1.4425                 1.4527                 1.4508
 Frc consts  --      1.7689                 1.7842                 1.7866
 IR Inten    --      3.1811                 2.6232                 0.9977
 RamAct Fr= 1--      0.3881                 0.6735                 0.5016
  Dep-P Fr= 1--      0.7500                 0.6938                 0.6488
  Dep-U Fr= 1--      0.8571                 0.8192                 0.7870
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0009
 Beta2  Fr= 1--      0.0554                 0.0920                 0.0658
 AlphaG Fr= 1--      0.0000                -0.0202                 0.0215
 Gamma2 Fr= 1--     -1.6377                 0.6165                -0.3346
 Delta2 Fr= 1--     -1.0779                 0.5217                -0.3946
 Raman1 Fr= 1--       1.553                  2.694                  2.006
 ROA1   Fr= 1--    -191.709                 75.877                -44.747
 CID1   Fr= 1--    -123.478                 28.164                -22.302
 Raman2 Fr= 1--       0.665                  1.104                  0.790
 ROA2   Fr= 1--     -30.682                 10.621                 -4.873
 CID2   Fr= 1--     -46.111                  9.625                 -6.172
 Raman3 Fr= 1--       1.331                  2.207                  1.579
 ROA3   Fr= 1--    -191.709                 75.877                -44.747
 CID3   Fr= 1--    -144.058                 34.379                -28.338
 RC180  Fr= 1--       0.714                  0.638                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.03   0.03  -0.13    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01     0.03  -0.03   0.13    -0.00  -0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.01  -0.01  -0.04     0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.03   0.01   0.00     0.00  -0.00   0.00    -0.03   0.01  -0.00
     6   6     0.05  -0.06  -0.05    -0.00   0.00  -0.00     0.06  -0.06  -0.05
     7   6    -0.08   0.02   0.05     0.00  -0.00   0.00    -0.08   0.02   0.05
     8   7     0.02  -0.02   0.00    -0.00  -0.00  -0.00     0.02  -0.02   0.00
     9   7     0.00  -0.00  -0.00     0.01   0.01   0.04     0.00  -0.00  -0.00
    10   7     0.03   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.01   0.00
    11   6    -0.05  -0.06  -0.05    -0.00  -0.00   0.00     0.06   0.06   0.05
    12   6     0.08   0.02   0.05    -0.00   0.00  -0.00    -0.08  -0.02  -0.05
    13   7    -0.02  -0.02   0.00     0.00   0.00   0.00     0.02   0.02  -0.00
    14   1    -0.09   0.29   0.27     0.00  -0.02  -0.01    -0.11   0.27   0.28
    15   1    -0.05   0.17   0.09     0.00   0.00   0.00    -0.08   0.17   0.07
    16   1     0.29   0.04  -0.28    -0.00   0.02   0.01     0.29   0.04  -0.29
    17   1     0.18   0.02  -0.08    -0.01   0.02  -0.02     0.19   0.02  -0.08
    18   1    -0.29   0.04  -0.29     0.00  -0.02  -0.01     0.29  -0.04   0.28
    19   1    -0.18   0.02  -0.08    -0.01  -0.02   0.02     0.19  -0.02   0.08
    20   1     0.09   0.29   0.27    -0.00   0.01   0.01    -0.11  -0.26  -0.28
    21   1     0.05   0.17   0.09     0.00  -0.01  -0.00    -0.08  -0.17  -0.07
    22   1    -0.07   0.13   0.02     0.00  -0.00   0.01     0.08  -0.13  -0.03
    23   1    -0.00  -0.11  -0.06     0.02  -0.02  -0.00    -0.01   0.09   0.05
    24   1    -0.07   0.13  -0.02     0.01  -0.02  -0.01     0.07  -0.13   0.03
    25   1     0.08  -0.05   0.06    -0.01  -0.01  -0.01    -0.08   0.05  -0.05
    26   1    -0.02  -0.00   0.00     0.11   0.05  -0.09    -0.02  -0.00   0.00
    27   1     0.01  -0.00   0.00    -0.22  -0.03   0.00     0.00  -0.00  -0.00
    28   1     0.07   0.12  -0.02     0.01   0.02   0.01     0.07   0.13  -0.03
    29   1    -0.08  -0.05   0.06    -0.00   0.01   0.01    -0.08  -0.05   0.05
    30   1     0.07   0.12   0.01    -0.00  -0.00  -0.01     0.08   0.13   0.03
    31   1     0.00  -0.11  -0.06     0.02   0.02   0.00    -0.01  -0.09  -0.05
    32   1     0.00   0.01  -0.02    -0.27  -0.25   0.43     0.02  -0.01   0.02
    33   1    -0.00  -0.01  -0.02    -0.17  -0.05   0.23    -0.00   0.01   0.02
    34   1     0.00  -0.01  -0.02    -0.16   0.04  -0.23    -0.00  -0.01  -0.02
    35   1    -0.01   0.02  -0.03    -0.27   0.25  -0.43     0.02   0.01  -0.02
    36   1    -0.01   0.00   0.00    -0.22   0.03  -0.00     0.00   0.00   0.00
    37   1     0.02  -0.00   0.00     0.11  -0.05   0.09    -0.02   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8309              1502.9443              1503.6487
 Red. masses --      1.0811                 1.0804                 1.0791
 Frc consts  --      1.4385                 1.4379                 1.4374
 IR Inten    --     27.1698                27.3436                22.4296
 RamAct Fr= 1--      6.2688                 7.6058                 3.4080
  Dep-P Fr= 1--      0.4164                 0.5870                 0.7484
  Dep-U Fr= 1--      0.5880                 0.7398                 0.8561
 Alpha2 Fr= 1--      0.0437                 0.0231                 0.0001
 Beta2  Fr= 1--      0.6144                 0.9378                 0.4863
 AlphaG Fr= 1--      0.0712                 0.0346                 0.0009
 Gamma2 Fr= 1--     -2.1141                -1.9565                -1.4000
 Delta2 Fr= 1--     -0.9705                -0.6363                -0.9232
 Raman1 Fr= 1--      25.075                 30.423                 13.632
 ROA1   Fr= 1--    -234.009               -208.187               -163.945
 CID1   Fr= 1--      -9.332                 -6.843                -12.026
 Raman2 Fr= 1--       7.372                 11.253                  5.835
 ROA2   Fr= 1--     -42.974                -41.866                -26.216
 CID2   Fr= 1--      -5.829                 -3.720                 -4.493
 Raman3 Fr= 1--      14.744                 22.507                 11.671
 ROA3   Fr= 1--    -234.009               -208.187               -163.945
 CID3   Fr= 1--     -15.871                 -9.250                -14.048
 RC180  Fr= 1--       0.176                  0.480                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.04     0.01   0.01   0.02    -0.01  -0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.05   0.03   0.05    -0.00   0.00   0.00
     3   7    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.01   0.03  -0.00    -0.00   0.02  -0.00     0.02  -0.05   0.01
     8   7     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
     9   7    -0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.02  -0.00  -0.00
    12   6    -0.00  -0.02   0.00    -0.01  -0.02   0.00    -0.01  -0.05   0.01
    13   7     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    14   1     0.08   0.05  -0.06     0.07   0.04  -0.05    -0.11  -0.05   0.09
    15   1     0.10  -0.01   0.07     0.08  -0.02   0.05    -0.12   0.02  -0.08
    16   1    -0.05  -0.23  -0.10    -0.05  -0.17  -0.06     0.11   0.45   0.19
    17   1     0.13  -0.16   0.15     0.09  -0.12   0.11    -0.26   0.32  -0.29
    18   1    -0.05   0.18   0.07    -0.04   0.17   0.08    -0.10   0.39   0.16
    19   1     0.10   0.13  -0.12     0.10   0.12  -0.11     0.23   0.28  -0.26
    20   1     0.08  -0.05   0.06     0.07  -0.05   0.05     0.11  -0.06   0.09
    21   1     0.09   0.02  -0.06     0.08   0.01  -0.06     0.12   0.02  -0.08
    22   1    -0.00   0.00   0.01     0.00  -0.00   0.01    -0.02   0.01   0.03
    23   1     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    24   1    -0.01   0.04  -0.01     0.00  -0.01   0.00    -0.01   0.01  -0.00
    25   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.02   0.00  -0.01     0.00   0.00  -0.01    -0.03  -0.00  -0.01
    27   1     0.01   0.01  -0.00     0.01   0.03  -0.00     0.00   0.02  -0.00
    28   1    -0.00  -0.00  -0.00    -0.01  -0.04   0.01     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    30   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.03
    31   1     0.01   0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    32   1     0.52  -0.17   0.23    -0.13   0.07  -0.11     0.07  -0.01   0.01
    33   1     0.17   0.49   0.32    -0.06  -0.15  -0.10     0.02   0.05   0.03
    34   1    -0.01  -0.00  -0.00     0.18  -0.49  -0.32     0.01  -0.03  -0.02
    35   1     0.03  -0.02   0.04     0.52   0.18  -0.24     0.02   0.01  -0.02
    36   1     0.02  -0.03   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    37   1     0.00   0.00   0.02     0.02  -0.00   0.01     0.03  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.9733              1504.7246              1505.2980
 Red. masses --      1.0797                 1.0786                 1.0844
 Frc consts  --      1.4389                 1.4389                 1.4477
 IR Inten    --      6.6527                11.7075                 1.3624
 RamAct Fr= 1--     14.2058                10.8873                 1.4548
  Dep-P Fr= 1--      0.7006                 0.3104                 0.7468
  Dep-U Fr= 1--      0.8239                 0.4737                 0.8550
 Alpha2 Fr= 1--      0.0122                 0.1082                 0.0001
 Beta2  Fr= 1--      1.9507                 0.8596                 0.2073
 AlphaG Fr= 1--      0.0599                -0.2286                -0.0001
 Gamma2 Fr= 1--      4.1318                -1.5976                 2.7177
 Delta2 Fr= 1--      0.8723                -0.1674                 0.9863
 Raman1 Fr= 1--      56.823                 43.549                  5.819
 ROA1   Fr= 1--     424.564               -158.726                292.458
 CID1   Fr= 1--       7.472                 -3.645                 50.257
 Raman2 Fr= 1--      23.409                 10.315                  2.488
 ROA2   Fr= 1--      92.184                -37.003                 57.334
 CID2   Fr= 1--       3.938                 -3.587                 23.046
 Raman3 Fr= 1--      46.818                 20.630                  4.976
 ROA3   Fr= 1--     424.564               -158.726                292.458
 CID3   Fr= 1--       9.068                 -7.694                 58.778
 RC180  Fr= 1--       0.648                 -0.053                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.03   0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
     6   6     0.02   0.00   0.00    -0.04  -0.02  -0.01    -0.06  -0.01  -0.01
     7   6     0.01  -0.03   0.00    -0.00  -0.02   0.01     0.00  -0.02   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.00    -0.04   0.02   0.01     0.05  -0.01  -0.01
    12   6     0.02   0.04  -0.00     0.00   0.03  -0.01    -0.00  -0.02   0.00
    13   7    -0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.12  -0.09   0.08     0.27   0.29  -0.15     0.32   0.32  -0.19
    15   1    -0.14   0.01  -0.10     0.34  -0.05   0.24     0.40  -0.07   0.28
    16   1     0.05   0.24   0.11     0.09   0.20   0.05     0.07   0.13   0.02
    17   1    -0.15   0.17  -0.15    -0.11   0.13  -0.13    -0.08   0.08  -0.08
    18   1     0.07  -0.32  -0.15     0.10  -0.24  -0.06    -0.07   0.14   0.03
    19   1    -0.19  -0.23   0.21    -0.13  -0.16   0.15     0.08   0.09  -0.08
    20   1    -0.15   0.12  -0.11     0.28  -0.31   0.15    -0.29   0.30  -0.18
    21   1    -0.18  -0.02   0.13     0.36   0.05  -0.25    -0.37  -0.06   0.26
    22   1    -0.00   0.01  -0.01     0.03  -0.03  -0.04     0.01  -0.01   0.01
    23   1    -0.01   0.00  -0.00    -0.03  -0.01  -0.01     0.01   0.00   0.00
    24   1    -0.00   0.02  -0.01     0.00  -0.02   0.03     0.00   0.02  -0.03
    25   1     0.00  -0.00  -0.00     0.01   0.02   0.01    -0.02  -0.01  -0.01
    26   1    -0.02  -0.00  -0.03    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    27   1     0.02   0.04  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    28   1    -0.00  -0.02   0.01     0.00   0.02  -0.03    -0.00   0.02  -0.04
    29   1     0.00   0.00   0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.01
    30   1    -0.00  -0.01   0.01     0.03   0.03   0.03    -0.01  -0.01   0.01
    31   1    -0.00  -0.00   0.00    -0.02   0.01   0.01    -0.01   0.00   0.00
    32   1     0.29  -0.06   0.08     0.03  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.08   0.24   0.16     0.01   0.02   0.01     0.00  -0.00  -0.00
    34   1     0.10  -0.28  -0.18     0.01  -0.02  -0.01    -0.00   0.00   0.00
    35   1     0.33   0.08  -0.10     0.03   0.00  -0.00    -0.01   0.00  -0.00
    36   1     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00   0.01  -0.00
    37   1    -0.02   0.00   0.03    -0.02   0.00   0.01     0.01  -0.00  -0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1641.1493              1654.4291              1656.5217
 Red. masses --      1.0766                 1.0781                 1.0815
 Frc consts  --      1.7084                 1.7386                 1.7485
 IR Inten    --    167.4825                 9.3212                16.6771
 RamAct Fr= 1--      0.0071                 5.7829                 4.6726
  Dep-P Fr= 1--      0.7500                 0.7496                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0010                 0.8259                 0.6675
 AlphaG Fr= 1--     -0.0000                 0.0016                 0.0000
 Gamma2 Fr= 1--     -0.0020                -0.5320                 3.2184
 Delta2 Fr= 1--     -0.0183                 3.2343                 3.9870
 Raman1 Fr= 1--       0.028                 23.132                 18.690
 ROA1   Fr= 1--      -0.781                 52.424                436.554
 CID1   Fr= 1--     -27.590                  2.266                 23.357
 Raman2 Fr= 1--       0.012                  9.911                  8.010
 ROA2   Fr= 1--       0.098                -38.643                 45.347
 CID2   Fr= 1--       8.047                 -3.899                  5.661
 Raman3 Fr= 1--       0.024                 19.822                 16.020
 ROA3   Fr= 1--      -0.781                 52.424                436.554
 CID3   Fr= 1--     -32.188                  2.645                 27.250
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.01  -0.02   0.02    -0.01   0.03  -0.02     0.01  -0.01   0.01
     4  45     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.01   0.02    -0.00   0.01   0.02     0.00  -0.02  -0.04
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     8   7    -0.01  -0.00   0.02    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     9   7    -0.01  -0.02   0.02    -0.01  -0.03   0.02    -0.01  -0.01   0.01
    10   7     0.00   0.01   0.02    -0.00  -0.01  -0.02    -0.00  -0.02  -0.04
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
    13   7     0.01  -0.00   0.02    -0.01   0.00  -0.02     0.01  -0.00   0.02
    14   1    -0.01  -0.01   0.01     0.00   0.01   0.01    -0.01  -0.00   0.01
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.00    -0.01   0.03   0.00
    16   1    -0.01  -0.01   0.01     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    17   1     0.01   0.01  -0.01     0.01   0.01  -0.00     0.03  -0.01   0.01
    18   1     0.01  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02  -0.02
    19   1    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.03  -0.01   0.01
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01     0.01  -0.00   0.01
    21   1     0.02  -0.01  -0.01    -0.00   0.01   0.00     0.01   0.03   0.00
    22   1     0.08   0.02  -0.24    -0.08  -0.01   0.25    -0.14  -0.01   0.39
    23   1    -0.15  -0.18  -0.13     0.14   0.17   0.13     0.24   0.27   0.20
    24   1     0.06   0.06  -0.26    -0.04  -0.06   0.20     0.04   0.05  -0.18
    25   1    -0.24  -0.05  -0.14     0.18   0.04   0.11    -0.15  -0.05  -0.09
    26   1     0.10   0.05  -0.31     0.10   0.06  -0.35     0.06   0.03  -0.16
    27   1     0.03   0.32  -0.03     0.04   0.38  -0.03     0.02   0.17  -0.01
    28   1    -0.06   0.06  -0.26    -0.04   0.06  -0.20    -0.04   0.05  -0.18
    29   1     0.24  -0.04  -0.14     0.19  -0.04  -0.11     0.15  -0.05  -0.09
    30   1    -0.08   0.02  -0.24    -0.08   0.01  -0.23     0.14  -0.01   0.41
    31   1     0.15  -0.18  -0.13     0.13  -0.16  -0.12    -0.25   0.28   0.21
    32   1    -0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.01  -0.00   0.00
    33   1     0.02   0.01  -0.00     0.01  -0.01  -0.03     0.01  -0.00   0.00
    34   1    -0.02   0.01  -0.00     0.01   0.01   0.03    -0.01  -0.00  -0.00
    35   1     0.01  -0.00   0.00    -0.02  -0.01   0.01     0.01  -0.00   0.00
    36   1    -0.03   0.32  -0.03     0.04  -0.37   0.03    -0.03   0.19  -0.02
    37   1    -0.10   0.05  -0.30     0.10  -0.05   0.34    -0.07   0.03  -0.18
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.8911              1668.1543              1671.0253
 Red. masses --      1.0776                 1.0775                 1.0750
 Frc consts  --      1.7493                 1.7666                 1.7685
 IR Inten    --      0.9984                 2.2504                39.5001
 RamAct Fr= 1--     12.0638                 4.2015                 1.6849
  Dep-P Fr= 1--      0.7484                 0.7498                 0.7500
  Dep-U Fr= 1--      0.8561                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      1.7213                 0.6001                 0.2407
 AlphaG Fr= 1--      0.0036                -0.0006                -0.0000
 Gamma2 Fr= 1--    -14.9519                 7.0686                 3.7995
 Delta2 Fr= 1--     -6.1228                 1.3849                 0.3373
 Raman1 Fr= 1--      48.255                 16.806                  6.739
 ROA1   Fr= 1--   -1631.313                722.904                375.545
 CID1   Fr= 1--     -33.806                 43.014                 55.723
 Raman2 Fr= 1--      20.655                  7.201                  2.888
 ROA2   Fr= 1--    -309.864                158.567                 88.489
 CID2   Fr= 1--     -15.002                 22.019                 30.637
 Raman3 Fr= 1--      41.310                 14.403                  5.777
 ROA3   Fr= 1--   -1631.313                722.904                375.545
 CID3   Fr= 1--     -39.489                 50.192                 65.011
 RC180  Fr= 1--       0.712                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.00  -0.01   0.00    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.01  -0.02     0.00  -0.02  -0.03     0.00  -0.00  -0.00
     6   6     0.01  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     7   6    -0.00   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.01
     8   7    -0.02  -0.01   0.04     0.01   0.00  -0.01     0.02   0.00  -0.03
     9   7     0.00   0.01  -0.00    -0.01  -0.02   0.02    -0.01  -0.02   0.02
    10   7     0.00   0.01   0.02     0.00   0.02   0.03    -0.00  -0.00  -0.00
    11   6     0.01   0.00   0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    12   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.01
    13   7    -0.02   0.01  -0.04     0.01  -0.00   0.01    -0.02   0.00  -0.03
    14   1    -0.02  -0.02   0.02    -0.01  -0.02  -0.00     0.01   0.01  -0.01
    15   1    -0.03   0.02  -0.01    -0.01   0.02   0.00     0.02  -0.01   0.01
    16   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01     0.01   0.01  -0.00
    17   1     0.03   0.00   0.00     0.01  -0.02   0.01    -0.02  -0.01   0.01
    18   1    -0.01   0.02   0.01    -0.00   0.01   0.01    -0.01   0.01  -0.00
    19   1     0.03  -0.00  -0.00     0.01   0.02  -0.01     0.02  -0.01   0.01
    20   1    -0.02   0.02  -0.02    -0.01   0.02   0.00    -0.01   0.00  -0.01
    21   1    -0.03  -0.02   0.01    -0.01  -0.02  -0.00    -0.02  -0.01   0.01
    22   1     0.07   0.02  -0.24     0.11   0.01  -0.33     0.00  -0.01   0.02
    23   1    -0.14  -0.16  -0.12    -0.20  -0.23  -0.17     0.02   0.02   0.02
    24   1    -0.09  -0.10   0.40     0.03   0.02  -0.14    -0.08  -0.09   0.35
    25   1     0.36   0.07   0.21    -0.12  -0.03  -0.07     0.31   0.06   0.19
    26   1    -0.01  -0.01   0.08     0.09   0.05  -0.30     0.09   0.05  -0.31
    27   1    -0.01  -0.08   0.01     0.04   0.32  -0.03     0.03   0.33  -0.03
    28   1    -0.09   0.09  -0.40     0.04  -0.02   0.15     0.08  -0.09   0.35
    29   1     0.36  -0.07  -0.21    -0.13   0.03   0.08    -0.31   0.06   0.18
    30   1     0.07  -0.02   0.23     0.11  -0.01   0.34    -0.00  -0.01   0.01
    31   1    -0.14   0.16   0.12    -0.20   0.23   0.17    -0.01   0.01   0.01
    32   1     0.01  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.01   0.01
    33   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.02   0.01   0.00
    34   1    -0.00  -0.01  -0.01     0.01   0.02   0.03    -0.02   0.01   0.00
    35   1     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.00  -0.01   0.01
    36   1    -0.01   0.07  -0.01     0.04  -0.31   0.03    -0.03   0.33  -0.03
    37   1    -0.01   0.01  -0.08     0.09  -0.05   0.29    -0.09   0.05  -0.32
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.1632              3069.2449              3071.5029
 Red. masses --      1.0634                 1.0634                 1.0631
 Frc consts  --      5.9019                 5.9023                 5.9089
 IR Inten    --      3.9519                 7.1829                 5.7899
 RamAct Fr= 1--    368.0509               106.5265               215.0179
  Dep-P Fr= 1--      0.0240                 0.0938                 0.0426
  Dep-U Fr= 1--      0.0470                 0.1715                 0.0817
 Alpha2 Fr= 1--      7.7308                 1.8937                 4.3228
 Beta2  Fr= 1--      2.8806                 3.0443                 2.9274
 AlphaG Fr= 1--     -1.4125                -0.3494                 0.2829
 Gamma2 Fr= 1--    -24.3196                16.2580                 8.2492
 Delta2 Fr= 1--    -13.8114                12.3237                 7.4987
 Raman1 Fr= 1--    1472.204                426.106                860.071
 ROA1   Fr= 1--   -2776.644               1955.127               1031.878
 CID1   Fr= 1--      -1.886                  4.588                  1.200
 Raman2 Fr= 1--      34.567                 36.531                 35.129
 ROA2   Fr= 1--    -473.179                291.602                137.990
 CID2   Fr= 1--     -13.689                  7.982                  3.928
 Raman3 Fr= 1--      69.135                 73.062                 70.258
 ROA3   Fr= 1--   -2776.644               1955.127               1031.878
 CID3   Fr= 1--     -40.163                 26.760                 14.687
 RC180  Fr= 1--      -0.906                 -0.657                 -0.837
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.03   0.03
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.04  -0.00   0.01     0.01  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03   0.05  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.04  -0.00   0.01     0.00  -0.00  -0.00
    12   6    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.00  -0.00   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.31   0.16  -0.32    -0.10   0.05  -0.10    -0.01   0.01  -0.02
    15   1    -0.12  -0.16   0.17    -0.04  -0.05   0.05    -0.01  -0.01   0.01
    16   1     0.42  -0.24   0.44     0.14  -0.08   0.15     0.00  -0.00   0.01
    17   1    -0.13  -0.30  -0.26    -0.05  -0.11  -0.09    -0.00  -0.00  -0.00
    18   1     0.14   0.08  -0.15    -0.41  -0.24   0.44     0.00   0.00  -0.00
    19   1    -0.04   0.10   0.08     0.13  -0.30  -0.26    -0.00   0.00   0.00
    20   1    -0.11  -0.06   0.11     0.31   0.16  -0.32    -0.01  -0.01   0.02
    21   1    -0.04   0.06  -0.06     0.12  -0.17   0.17    -0.01   0.01  -0.01
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    28   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.01   0.01    -0.00  -0.01  -0.01    -0.01  -0.52  -0.27
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.29   0.21  -0.11
    34   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.30  -0.22   0.11
    35   1     0.00  -0.02  -0.01     0.00   0.01   0.00    -0.01   0.53   0.27
    36   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3075.0342              3075.3234              3076.4682
 Red. masses --      1.0604                 1.0605                 1.0604
 Frc consts  --      5.9075                 5.9094                 5.9133
 IR Inten    --      0.2153                17.0196                 9.0921
 RamAct Fr= 1--     84.3236                23.3941                51.6623
  Dep-P Fr= 1--      0.5409                 0.7454                 0.7496
  Dep-U Fr= 1--      0.7020                 0.8541                 0.8569
 Alpha2 Fr= 1--      0.3391                 0.0018                 0.0004
 Beta2  Fr= 1--      9.8662                 3.3303                 7.3778
 AlphaG Fr= 1--     -0.1068                -0.0005                -0.0000
 Gamma2 Fr= 1--      7.0642                 9.8468                -6.1924
 Delta2 Fr= 1--      7.1895                 5.5837                -6.3408
 Raman1 Fr= 1--     337.295                 93.576                206.649
 ROA1   Fr= 1--     908.229               1123.974               -797.375
 CID1   Fr= 1--       2.693                 12.011                 -3.859
 Raman2 Fr= 1--     118.395                 39.964                 88.534
 ROA2   Fr= 1--     112.026                191.654                -97.891
 CID2   Fr= 1--       0.946                  4.796                 -1.106
 Raman3 Fr= 1--     236.789                 79.928                177.067
 ROA3   Fr= 1--     908.229               1123.974               -797.375
 CID3   Fr= 1--       3.836                 14.062                 -4.503
 RC180  Fr= 1--       0.404                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.04   0.01   0.00    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.03   0.00    -0.01   0.03   0.00    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.04  -0.01  -0.00     0.04  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.01   0.03  -0.00     0.01   0.03  -0.00     0.00   0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.27   0.14  -0.27     0.28  -0.15   0.29     0.00  -0.00   0.00
    15   1    -0.17  -0.24   0.24     0.19   0.26  -0.26     0.00   0.00  -0.00
    16   1    -0.17   0.10  -0.18     0.18  -0.10   0.18     0.00  -0.00   0.00
    17   1     0.09   0.21   0.17    -0.10  -0.22  -0.18    -0.00  -0.00  -0.00
    18   1    -0.19  -0.11   0.20    -0.17  -0.10   0.18    -0.00  -0.00   0.00
    19   1     0.10  -0.22  -0.19     0.09  -0.21  -0.18     0.00  -0.00  -0.00
    20   1    -0.28  -0.15   0.28    -0.27  -0.14   0.27    -0.00  -0.00   0.00
    21   1    -0.18   0.25  -0.25    -0.18   0.24  -0.24    -0.00   0.00  -0.00
    22   1     0.01   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    28   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00   0.01   0.01    -0.00  -0.01  -0.00     0.00   0.44   0.23
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00     0.40  -0.28   0.15
    34   1     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.39  -0.28   0.15
    35   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.43   0.22
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.4483              3115.5192              3116.3548
 Red. masses --      1.1072                 1.1072                 1.1077
 Frc consts  --      6.3317                 6.3320                 6.3384
 IR Inten    --     12.4873                 4.6093                 6.7539
 RamAct Fr= 1--    149.9989               188.6209               167.1779
  Dep-P Fr= 1--      0.7483                 0.2271                 0.3352
  Dep-U Fr= 1--      0.8561                 0.3701                 0.5021
 Alpha2 Fr= 1--      0.0042                 2.3816                 1.5389
 Beta2  Fr= 1--     21.4012                11.6352                13.9898
 AlphaG Fr= 1--      0.0003                 0.2062                -0.7262
 Gamma2 Fr= 1--    -60.6783                 3.0661                34.8710
 Delta2 Fr= 1--    -47.3585                 5.4281                11.0364
 Raman1 Fr= 1--     599.995                754.484                668.711
 ROA1   Fr= 1--   -7340.594                468.046               3700.787
 CID1   Fr= 1--     -12.234                  0.620                  5.534
 Raman2 Fr= 1--     256.814                139.623                167.878
 ROA2   Fr= 1--   -1077.412                 30.162                748.614
 CID2   Fr= 1--      -4.195                  0.216                  4.459
 Raman3 Fr= 1--     513.628                279.246                335.756
 ROA3   Fr= 1--   -7340.594                468.046               3700.787
 CID3   Fr= 1--     -14.292                  1.676                 11.022
 RC180  Fr= 1--       0.712                 -0.260                  0.004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.04   0.05  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.04  -0.05   0.00
     3   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.04     0.00   0.03  -0.03     0.00   0.00  -0.00
     7   6    -0.03  -0.02  -0.04     0.02   0.02   0.04     0.00   0.00   0.00
     8   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.03   0.03     0.00  -0.03   0.04     0.00  -0.00   0.00
    12   6     0.02  -0.02  -0.04     0.03  -0.02  -0.04     0.00  -0.00  -0.00
    13   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.17   0.08  -0.16     0.15  -0.08   0.15     0.01  -0.01   0.01
    15   1     0.20   0.26  -0.26    -0.18  -0.24   0.24    -0.02  -0.02   0.02
    16   1     0.18  -0.11   0.19    -0.16   0.10  -0.17    -0.01   0.01  -0.02
    17   1     0.14   0.35   0.28    -0.13  -0.32  -0.26    -0.01  -0.03  -0.02
    18   1    -0.16  -0.10   0.17    -0.18  -0.11   0.18    -0.01  -0.01   0.01
    19   1    -0.13   0.32   0.26    -0.14   0.34   0.28    -0.01   0.03   0.02
    20   1     0.15   0.08  -0.15     0.17   0.09  -0.17     0.01   0.01  -0.01
    21   1    -0.19   0.24  -0.24    -0.20   0.26  -0.26    -0.02   0.02  -0.02
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.02   0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   1    -0.01   0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.01  -0.33  -0.17
    33   1     0.00  -0.00   0.00    -0.04   0.03  -0.02     0.47  -0.31   0.19
    34   1     0.00   0.00  -0.00    -0.04  -0.03   0.02     0.47   0.32  -0.19
    35   1     0.00   0.00   0.00     0.00  -0.03  -0.02    -0.01   0.33   0.18
    36   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.7816              3125.7933              3127.1169
 Red. masses --      1.1101                 1.1102                 1.1100
 Frc consts  --      6.3905                 6.3908                 6.3954
 IR Inten    --      3.6084                 5.2895                 3.1284
 RamAct Fr= 1--     33.0691                80.7007                58.0509
  Dep-P Fr= 1--      0.7500                 0.7492                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8566                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0000
 Beta2  Fr= 1--      4.7241                11.5218                 8.2930
 AlphaG Fr= 1--      0.0001                 0.0021                -0.0000
 Gamma2 Fr= 1--     22.3596                48.1236               -37.4739
 Delta2 Fr= 1--      4.2485                 5.5877                -3.7347
 Raman1 Fr= 1--     132.276                322.803                232.204
 ROA1   Fr= 1--    2282.471               4798.669              -3717.008
 CID1   Fr= 1--      17.255                 14.866                -16.008
 Raman2 Fr= 1--      56.689                138.261                 99.516
 ROA2   Fr= 1--     502.642               1110.264               -869.497
 CID2   Fr= 1--       8.867                  8.030                 -8.737
 Raman3 Fr= 1--     113.377                276.523                199.032
 ROA3   Fr= 1--    2282.471               4798.669              -3717.008
 CID3   Fr= 1--      20.132                 17.354                -18.675
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.06  -0.01
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.01
     3   7    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.03    -0.01   0.04  -0.05    -0.00   0.00  -0.00
     7   6     0.02   0.01   0.03    -0.03  -0.01  -0.04    -0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.01  -0.04   0.05    -0.00  -0.02   0.03     0.00   0.00  -0.00
    12   6    -0.03   0.01   0.04    -0.02   0.01   0.03     0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.19   0.10  -0.19     0.30  -0.15   0.29     0.01  -0.01   0.01
    15   1     0.14   0.18  -0.18    -0.21  -0.27   0.27    -0.01  -0.01   0.01
    16   1    -0.16   0.10  -0.17     0.25  -0.15   0.26     0.01  -0.01   0.01
    17   1    -0.07  -0.19  -0.15     0.12   0.29   0.24     0.00   0.01   0.01
    18   1     0.25   0.15  -0.26     0.17   0.10  -0.17    -0.01  -0.01   0.01
    19   1     0.12  -0.29  -0.24     0.08  -0.19  -0.16    -0.00   0.01   0.01
    20   1     0.29   0.15  -0.29     0.19   0.10  -0.19    -0.01  -0.01   0.01
    21   1    -0.21   0.27  -0.27    -0.14   0.18  -0.18     0.01  -0.01   0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.01  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.01     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.01
    27   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.01   0.00   0.01    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    32   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.01   0.45   0.24
    33   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.38   0.26  -0.16
    34   1     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.38   0.26  -0.15
    35   1    -0.00   0.02   0.01     0.00  -0.00  -0.00    -0.01   0.45   0.24
    36   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.8252              3431.9629              3432.0150
 Red. masses --      1.0525                 1.0525                 1.0524
 Frc consts  --      7.3031                 7.3042                 7.3035
 IR Inten    --     51.1390               108.4899                92.3411
 RamAct Fr= 1--      5.8264                 1.7666                 2.3524
  Dep-P Fr= 1--      0.7146                 0.7263                 0.7326
  Dep-U Fr= 1--      0.8335                 0.8414                 0.8457
 Alpha2 Fr= 1--      0.0036                 0.0007                 0.0007
 Beta2  Fr= 1--      0.8094                 0.2477                 0.3316
 AlphaG Fr= 1--      0.0075                 0.0128                 0.0146
 Gamma2 Fr= 1--     16.3167                 4.6000                 6.6646
 Delta2 Fr= 1--     -0.2214                -0.4650                -0.6256
 Raman1 Fr= 1--      23.305                  7.066                  9.409
 ROA1   Fr= 1--    1559.317                426.718                619.787
 CID1   Fr= 1--      66.908                 60.387                 65.868
 Raman2 Fr= 1--       9.713                  2.973                  3.979
 ROA2   Fr= 1--     393.372                114.120                164.956
 CID2   Fr= 1--      40.500                 38.387                 41.459
 Raman3 Fr= 1--      19.426                  5.946                  7.957
 ROA3   Fr= 1--    1559.317                426.718                619.787
 CID3   Fr= 1--      80.271                 71.768                 77.888
 RC180  Fr= 1--       0.667                  0.683                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   7     0.00  -0.02   0.02     0.00  -0.02   0.02    -0.00   0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.02    -0.01   0.00   0.03     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7     0.01  -0.00  -0.03    -0.01   0.00   0.02    -0.00   0.00   0.02
     9   7    -0.00  -0.02   0.01     0.00   0.01  -0.01    -0.00  -0.03   0.03
    10   7     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.01   0.00   0.03     0.00   0.00   0.01
    14   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00  -0.01
    21   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    22   1    -0.07  -0.06  -0.02     0.02   0.01   0.00    -0.31  -0.24  -0.09
    23   1     0.05   0.04  -0.10    -0.01  -0.01   0.02     0.21   0.17  -0.42
    24   1     0.27   0.11   0.07    -0.27  -0.11  -0.07    -0.14  -0.06  -0.04
    25   1    -0.19  -0.06   0.30     0.19   0.06  -0.31     0.09   0.03  -0.15
    26   1    -0.03   0.26   0.05     0.01  -0.09  -0.02    -0.05   0.46   0.09
    27   1     0.04  -0.04  -0.25    -0.01   0.02   0.09     0.06  -0.07  -0.44
    28   1    -0.27   0.11   0.07     0.23  -0.09  -0.06     0.16  -0.06  -0.04
    29   1     0.19  -0.06   0.30    -0.16   0.05  -0.25    -0.11   0.04  -0.18
    30   1     0.14  -0.11  -0.04     0.27  -0.21  -0.07    -0.04   0.03   0.01
    31   1    -0.09   0.08  -0.19    -0.18   0.14  -0.36     0.03  -0.02   0.05
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    36   1    -0.05  -0.06  -0.38    -0.05  -0.06  -0.36     0.01   0.02   0.09
    37   1     0.04   0.40   0.07     0.04   0.38   0.07    -0.01  -0.09  -0.02
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.0245              3433.1473              3434.1356
 Red. masses --      1.0529                 1.0527                 1.0528
 Frc consts  --      7.3112                 7.3105                 7.3150
 IR Inten    --      4.8974                 1.7810                 0.0964
 RamAct Fr= 1--     25.7901                17.2572               480.7894
  Dep-P Fr= 1--      0.6609                 0.7229                 0.0130
  Dep-U Fr= 1--      0.7958                 0.8391                 0.0257
 Alpha2 Fr= 1--      0.0410                 0.0081                10.3638
 Beta2  Fr= 1--      3.4207                 2.4135                 2.0598
 AlphaG Fr= 1--     -0.0693                -0.0049                -0.0391
 Gamma2 Fr= 1--     -4.3115                -6.2752               -13.6408
 Delta2 Fr= 1--     -1.2473                 0.9320                -3.3046
 Raman1 Fr= 1--     103.160                 69.029               1923.158
 ROA1   Fr= 1--    -453.819               -572.591              -1415.259
 CID1   Fr= 1--      -4.399                 -8.295                 -0.736
 Raman2 Fr= 1--      41.048                 28.962                 24.717
 ROA2   Fr= 1--     -93.498               -158.060               -300.942
 CID2   Fr= 1--      -2.278                 -5.457                -12.175
 Raman3 Fr= 1--      82.096                 57.924                 49.435
 ROA3   Fr= 1--    -453.819               -572.591              -1415.259
 CID3   Fr= 1--      -5.528                 -9.885                -28.629
 RC180  Fr= 1--       0.592                  0.678                 -0.949
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00   0.01  -0.01     0.00  -0.02   0.02    -0.00   0.02  -0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.02     0.01  -0.00  -0.03    -0.00   0.00   0.02
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   7    -0.01   0.00   0.03    -0.00   0.00   0.01     0.00  -0.00  -0.02
     9   7    -0.00  -0.01   0.01    -0.00  -0.02   0.02    -0.00  -0.02   0.02
    10   7    -0.00  -0.00  -0.01    -0.01  -0.00  -0.03    -0.00  -0.00  -0.03
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.00   0.00   0.00     0.00   0.00   0.02
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1     0.11   0.09   0.03     0.27   0.21   0.07     0.21   0.17   0.06
    23   1    -0.07  -0.06   0.15    -0.18  -0.15   0.37    -0.14  -0.12   0.29
    24   1     0.34   0.14   0.09    -0.05  -0.02  -0.01    -0.21  -0.09  -0.05
    25   1    -0.24  -0.08   0.39     0.03   0.01  -0.05     0.14   0.05  -0.23
    26   1    -0.01   0.13   0.02    -0.03   0.30   0.06    -0.03   0.31   0.06
    27   1     0.02  -0.02  -0.12     0.04  -0.05  -0.30     0.04  -0.05  -0.29
    28   1     0.34  -0.14  -0.08     0.13  -0.05  -0.03    -0.21   0.09   0.05
    29   1    -0.24   0.08  -0.38    -0.09   0.03  -0.14     0.15  -0.05   0.24
    30   1     0.18  -0.14  -0.05    -0.26   0.20   0.07     0.21  -0.16  -0.06
    31   1    -0.12   0.09  -0.24     0.17  -0.14   0.35    -0.14   0.11  -0.28
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.02   0.03   0.17    -0.04  -0.04  -0.26     0.04   0.04   0.27
    37   1    -0.02  -0.18  -0.03     0.03   0.27   0.05    -0.03  -0.29  -0.05
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6467              3480.8920              3482.1400
 Red. masses --      1.0925                 1.0926                 1.0930
 Frc consts  --      7.7981                 7.8001                 7.8081
 IR Inten    --     21.1383                42.2954                22.3241
 RamAct Fr= 1--     26.9968                24.3078                31.4399
  Dep-P Fr= 1--      0.7443                 0.5647                 0.6932
  Dep-U Fr= 1--      0.8534                 0.7218                 0.8188
 Alpha2 Fr= 1--      0.0026                 0.0853                 0.0312
 Beta2  Fr= 1--      3.8398                 2.9242                 4.2905
 AlphaG Fr= 1--      0.0121                 0.3571                -0.1336
 Gamma2 Fr= 1--    -38.8040                40.9894               -28.7284
 Delta2 Fr= 1--    -14.7816                20.7527               -12.7777
 Raman1 Fr= 1--     107.987                 97.231                125.760
 ROA1   Fr= 1--   -4198.201               4599.069              -3166.811
 CID1   Fr= 1--     -38.877                 47.300                -25.181
 Raman2 Fr= 1--      46.077                 35.091                 51.486
 ROA2   Fr= 1--    -813.044                817.723               -587.260
 CID2   Fr= 1--     -17.645                 23.303                -11.406
 Raman3 Fr= 1--      92.155                 70.181                102.973
 ROA3   Fr= 1--   -4198.201               4599.069              -3166.811
 CID3   Fr= 1--     -45.556                 65.531                -30.754
 RC180  Fr= 1--       0.707                  0.444                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.01  -0.01     0.00   0.01   0.00    -0.01  -0.05  -0.05
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   7     0.04  -0.01   0.01    -0.06   0.02  -0.02    -0.01   0.00  -0.00
     9   7     0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.02   0.02
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.06  -0.02   0.02    -0.04  -0.02   0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1    -0.01   0.00  -0.01     0.01  -0.01   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01   0.01  -0.01     0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.04   0.03   0.01    -0.05  -0.04  -0.02     0.21   0.16   0.07
    23   1     0.01   0.01  -0.03    -0.02  -0.01   0.04     0.08   0.07  -0.18
    24   1     0.55   0.23   0.17     0.39   0.16   0.12    -0.02  -0.01  -0.01
    25   1     0.25   0.08  -0.44     0.17   0.06  -0.31    -0.01  -0.00   0.01
    26   1    -0.01   0.11   0.02    -0.00   0.01   0.00     0.02  -0.20  -0.03
    27   1    -0.02   0.01   0.12    -0.00   0.00   0.00     0.03  -0.02  -0.21
    28   1    -0.37   0.15   0.11     0.56  -0.23  -0.17     0.10  -0.04  -0.03
    29   1    -0.17   0.05  -0.30     0.25  -0.08   0.44     0.05  -0.02   0.09
    30   1    -0.05   0.04   0.01    -0.03   0.02   0.01     0.09  -0.07  -0.03
    31   1    -0.02   0.01  -0.04    -0.01   0.01  -0.02     0.04  -0.03   0.08
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    33   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.02   0.01
    36   1     0.02   0.01   0.12    -0.01  -0.01  -0.06     0.08   0.07   0.62
    37   1     0.01   0.11   0.02    -0.01  -0.06  -0.01     0.06   0.59   0.08
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.3000              3482.8984              3483.1671
 Red. masses --      1.0929                 1.0927                 1.0924
 Frc consts  --      7.8087                 7.8096                 7.8089
 IR Inten    --     53.8995                33.5367                28.8688
 RamAct Fr= 1--     11.2338                49.7198                23.1558
  Dep-P Fr= 1--      0.7032                 0.7075                 0.7444
  Dep-U Fr= 1--      0.8257                 0.8287                 0.8534
 Alpha2 Fr= 1--      0.0092                 0.0367                 0.0022
 Beta2  Fr= 1--      1.5460                 6.8671                 3.2937
 AlphaG Fr= 1--     -0.0308                 0.2997                 0.0159
 Gamma2 Fr= 1--    -13.4041                55.1487               -22.9277
 Delta2 Fr= 1--     -4.8937                 8.0250                 3.0865
 Raman1 Fr= 1--      44.935                198.879                 92.623
 ROA1   Fr= 1--   -1443.393               5551.076              -2102.293
 CID1   Fr= 1--     -32.122                 27.912                -22.697
 Raman2 Fr= 1--      18.552                 82.405                 39.525
 ROA2   Fr= 1--    -282.550               1259.369               -574.957
 CID2   Fr= 1--     -15.230                 15.283                -14.547
 Raman3 Fr= 1--      37.104                164.811                 79.049
 ROA3   Fr= 1--   -1443.393               5551.076              -2102.293
 CID3   Fr= 1--     -38.901                 33.681                -26.595
 RC180  Fr= 1--       0.651                  0.657                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.01  -0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7     0.02  -0.02   0.01    -0.03   0.02  -0.01    -0.05   0.04  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   7     0.01  -0.05  -0.05     0.00  -0.01  -0.01     0.00  -0.02  -0.02
    10   7    -0.00  -0.00   0.00    -0.05  -0.04   0.02     0.03   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.01  -0.00   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.03   0.02   0.01     0.46   0.35   0.15    -0.31  -0.24  -0.10
    23   1     0.01   0.01  -0.03     0.19   0.16  -0.42    -0.12  -0.10   0.28
    24   1    -0.12  -0.05  -0.04     0.02   0.01   0.01     0.01   0.01   0.00
    25   1    -0.06  -0.02   0.10     0.01   0.00  -0.02     0.01   0.00  -0.01
    26   1    -0.06   0.59   0.08    -0.02   0.17   0.02    -0.02   0.19   0.03
    27   1    -0.08   0.07   0.61    -0.02   0.02   0.17    -0.03   0.02   0.20
    28   1     0.10  -0.04  -0.03     0.03  -0.01  -0.01    -0.01   0.00   0.00
    29   1     0.04  -0.01   0.08     0.01  -0.00   0.02    -0.00   0.00  -0.01
    30   1    -0.20   0.15   0.07     0.29  -0.22  -0.10     0.47  -0.36  -0.16
    31   1    -0.08   0.06  -0.17     0.12  -0.10   0.26     0.19  -0.16   0.43
    32   1     0.00   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    36   1     0.03   0.02   0.21    -0.03  -0.02  -0.22     0.02   0.01   0.12
    37   1     0.02   0.20   0.03    -0.02  -0.21  -0.03     0.01   0.11   0.02

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2547.093632591.510643900.78218
           X            1.00000  -0.00006  -0.00000
           Y            0.00006   1.00000   0.00026
           Z            0.00000  -0.00026   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03401     0.03342     0.02220
 Rotational constants (GHZ):           0.70855     0.69641     0.46266
 Zero-point vibrational energy     925914.5 (Joules/Mol)
                                  221.29887 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    125.48   130.13   160.24   204.91   207.06
          (Kelvin)            231.08   308.06   308.85   314.55   356.95
                              422.83   438.84   439.33   467.88   477.79
                              573.96   579.96   582.98   662.93   667.76
                              721.75   772.46   782.07   797.71   983.74
                              994.33  1027.00  1037.28  1086.20  1110.96
                             1246.30  1247.29  1248.02  1250.15  1251.96
                             1260.27  1411.51  1414.26  1414.77  1438.09
                             1441.48  1448.70  1509.25  1509.29  1510.68
                             1603.74  1603.89  1614.80  1682.99  1686.56
                             1708.65  1756.70  1763.73  1790.71  1859.30
                             1860.15  1867.88  1915.12  1917.03  1930.08
                             1939.09  1939.60  1944.79  2020.70  2021.55
                             2025.28  2075.69  2077.31  2080.10  2162.24
                             2162.40  2163.42  2163.88  2164.96  2165.79
                             2361.25  2380.35  2383.37  2388.21  2400.10
                             2404.23  4415.84  4415.96  4419.21  4424.29
                             4424.70  4426.35  4482.44  4482.54  4483.74
                             4497.30  4497.32  4499.22  4937.63  4937.83
                             4937.90  4939.36  4939.53  4940.96  5007.87
                             5008.23  5010.02  5010.25  5011.11  5011.50
 
 Zero-point correction=                           0.352662 (Hartree/Particle)
 Thermal correction to Energy=                    0.367665
 Thermal correction to Enthalpy=                  0.368609
 Thermal correction to Gibbs Free Energy=         0.312257
 Sum of electronic and zero-point Energies=           -681.283147
 Sum of electronic and thermal Energies=              -681.268145
 Sum of electronic and thermal Enthalpies=            -681.267200
 Sum of electronic and thermal Free Energies=         -681.323553
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.713             60.557            118.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.621
 Vibrational            228.936             54.595             44.163
 Vibration     1          0.601              1.958              3.722
 Vibration     2          0.602              1.956              3.650
 Vibration     3          0.607              1.940              3.245
 Vibration     4          0.616              1.911              2.771
 Vibration     5          0.616              1.909              2.751
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.644              1.819              2.008
 Vibration     8          0.645              1.819              2.004
 Vibration     9          0.646              1.813              1.970
 Vibration    10          0.662              1.766              1.744
 Vibration    11          0.689              1.685              1.452
 Vibration    12          0.696              1.664              1.389
 Vibration    13          0.696              1.664              1.387
 Vibration    14          0.709              1.625              1.284
 Vibration    15          0.714              1.611              1.250
 Vibration    16          0.765              1.472              0.967
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.770              1.459              0.944
 Vibration    19          0.819              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.857              1.246              0.654
 Vibration    22          0.892              1.168              0.572
 Vibration    23          0.899              1.154              0.558
 Vibration    24          0.910              1.130              0.535
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.235523-143       -143.627967       -330.715616
 Total V=0       0.384803D+19         18.585239         42.794094
 Vib (Bot)       0.692506-158       -158.159577       -364.175884
 Vib (Bot)    1  0.235862D+01          0.372658          0.858078
 Vib (Bot)    2  0.227316D+01          0.356629          0.821170
 Vib (Bot)    3  0.183848D+01          0.264460          0.608941
 Vib (Bot)    4  0.142675D+01          0.154348          0.355400
 Vib (Bot)    5  0.141137D+01          0.149642          0.344564
 Vib (Bot)    6  0.125849D+01          0.099851          0.229916
 Vib (Bot)    7  0.926090D+00         -0.033347         -0.076784
 Vib (Bot)    8  0.923523D+00         -0.034552         -0.079560
 Vib (Bot)    9  0.905292D+00         -0.043211         -0.099497
 Vib (Bot)   10  0.787388D+00         -0.103811         -0.239034
 Vib (Bot)   11  0.649336D+00         -0.187530         -0.431805
 Vib (Bot)   12  0.621745D+00         -0.206388         -0.475226
 Vib (Bot)   13  0.620925D+00         -0.206961         -0.476545
 Vib (Bot)   14  0.576263D+00         -0.239379         -0.551192
 Vib (Bot)   15  0.561925D+00         -0.250321         -0.576386
 Vib (Bot)   16  0.447149D+00         -0.349548         -0.804863
 Vib (Bot)   17  0.441173D+00         -0.355391         -0.818318
 Vib (Bot)   18  0.438199D+00         -0.358329         -0.825082
 Vib (Bot)   19  0.368912D+00         -0.433077         -0.997197
 Vib (Bot)   20  0.365228D+00         -0.437436         -1.007234
 Vib (Bot)   21  0.327155D+00         -0.485246         -1.117321
 Vib (Bot)   22  0.295965D+00         -0.528759         -1.217513
 Vib (Bot)   23  0.290490D+00         -0.536869         -1.236187
 Vib (Bot)   24  0.281841D+00         -0.549995         -1.266411
 Vib (V=0)       0.113143D+05          4.053629          9.333827
 Vib (V=0)    1  0.291104D+01          0.464048          1.068509
 Vib (V=0)    2  0.282750D+01          0.451402          1.039392
 Vib (V=0)    3  0.240526D+01          0.381162          0.877659
 Vib (V=0)    4  0.201183D+01          0.303591          0.699043
 Vib (V=0)    5  0.199732D+01          0.300448          0.691808
 Vib (V=0)    6  0.185418D+01          0.268152          0.617443
 Vib (V=0)    7  0.155245D+01          0.191016          0.439832
 Vib (V=0)    8  0.155019D+01          0.190384          0.438376
 Vib (V=0)    9  0.153419D+01          0.185880          0.428004
 Vib (V=0)   10  0.143273D+01          0.156164          0.359580
 Vib (V=0)   11  0.131953D+01          0.120421          0.277279
 Vib (V=0)   12  0.129785D+01          0.113225          0.260710
 Vib (V=0)   13  0.129721D+01          0.113011          0.260218
 Vib (V=0)   14  0.126294D+01          0.101383          0.233443
 Vib (V=0)   15  0.125217D+01          0.097663          0.224878
 Vib (V=0)   16  0.117078D+01          0.068474          0.157668
 Vib (V=0)   17  0.116681D+01          0.067000          0.154272
 Vib (V=0)   18  0.116484D+01          0.066268          0.152588
 Vib (V=0)   19  0.112137D+01          0.049748          0.114548
 Vib (V=0)   20  0.111919D+01          0.048902          0.112602
 Vib (V=0)   21  0.109752D+01          0.040413          0.093053
 Vib (V=0)   22  0.108103D+01          0.033838          0.077914
 Vib (V=0)   23  0.107826D+01          0.032723          0.075348
 Vib (V=0)   24  0.107396D+01          0.030990          0.071356
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181644D+07          6.259220         14.412388
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000005100   -0.000011887    0.000022263
      2        6           0.000024674   -0.000007295    0.000004029
      3        7          -0.000010636    0.000026720   -0.000042364
      4       45           0.000017130   -0.000084262   -0.000003418
      5        7          -0.000047401    0.000037833    0.000044979
      6        6           0.000006334   -0.000012716   -0.000025163
      7        6           0.000011055   -0.000018920    0.000010921
      8        7           0.000018590   -0.000022431   -0.000027330
      9        7          -0.000056269    0.000014816   -0.000004606
     10        7           0.000012714    0.000017478   -0.000043286
     11        6          -0.000007160    0.000033001    0.000052067
     12        6           0.000029748    0.000022177    0.000032591
     13        7           0.000022636   -0.000005004   -0.000024737
     14        1           0.000003460    0.000013517   -0.000027886
     15        1           0.000004111   -0.000004407    0.000002160
     16        1           0.000000319    0.000024622    0.000018310
     17        1           0.000003082   -0.000001730    0.000000535
     18        1          -0.000009274   -0.000014517   -0.000003400
     19        1          -0.000005202   -0.000001750    0.000001227
     20        1           0.000001694   -0.000015081    0.000022917
     21        1          -0.000005252   -0.000003557    0.000001696
     22        1           0.000008274   -0.000051368    0.000031366
     23        1          -0.000008175   -0.000011945    0.000016758
     24        1          -0.000013145    0.000002613   -0.000005732
     25        1           0.000009650    0.000013497   -0.000007122
     26        1          -0.000014991    0.000011089   -0.000003619
     27        1           0.000005990   -0.000001379    0.000007005
     28        1          -0.000019051   -0.000002055    0.000013357
     29        1           0.000018269   -0.000002927    0.000017093
     30        1           0.000010214    0.000025603   -0.000037802
     31        1          -0.000017459    0.000005819    0.000003228
     32        1          -0.000011035   -0.000007365   -0.000005448
     33        1           0.000001596    0.000005984   -0.000003788
     34        1          -0.000003859    0.000004921   -0.000004174
     35        1          -0.000001167    0.000009343   -0.000000539
     36        1           0.000012377   -0.000003162   -0.000011403
     37        1           0.000003060    0.000014724   -0.000020685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084262 RMS     0.000020496
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158605D+03 -0.963391D-03 -0.181168D-02
      2  -0.963391D-03  0.157093D+03  0.448344D-01
      3  -0.181168D-02  0.448344D-01  0.124089D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.106359D+01 -0.428250D-01  0.253803D-02
      2  -0.242556D-01  0.374563D+01 -0.206705D+01
      3  -0.185354D-01 -0.192289D+01 -0.423882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.922565D+02 -0.540993D+00  0.159403D-01
      2   0.987864D+02  0.572668D+00  0.146131D-01
      3  -0.652987D+01 -0.316759D-01 -0.305534D-01
      4  -0.561982D+00  0.101539D+03 -0.505133D+01
      5  -0.656489D-01  0.170304D+01 -0.950527D+01
      6  -0.101987D+02 -0.741636D-01 -0.547395D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.491297D+01 -0.419290D+01  0.358802D+01 -0.605953D+01  0.139639D+01
      2  -0.419290D+01  0.812120D+00 -0.550434D+00  0.139639D+01  0.294819D+01
      3   0.358802D+01 -0.550434D+00  0.881575D+00 -0.137941D+01  0.299149D+01
                 6             7             8             9            10 
      1  -0.137941D+01  0.232798D+01 -0.801593D+00  0.114386D+01  0.485762D+01
      2   0.299149D+01 -0.801593D+00  0.225094D+01  0.799488D+00  0.420009D+01
      3   0.594131D+00  0.114386D+01  0.799488D+00 -0.540627D+00 -0.357557D+01
                11            12            13            14            15 
      1   0.420009D+01 -0.357557D+01  0.607792D+01  0.146367D+01 -0.137198D+01
      2   0.868318D+00 -0.541166D+00  0.146367D+01 -0.293197D+01 -0.299702D+01
      3  -0.541166D+00  0.867541D+00 -0.137198D+01 -0.299702D+01 -0.590257D+00
                16            17            18            19            20 
      1  -0.231416D+01 -0.787583D+00  0.113590D+01 -0.952843D+01 -0.490035D+01
      2  -0.787583D+00 -0.225370D+01 -0.794784D+00 -0.490035D+01 -0.146224D+01
      3   0.113590D+01 -0.794784D+00  0.542509D+00  0.530897D+01  0.149815D+01
                21            22            23            24            25 
      1   0.530897D+01 -0.174985D+01 -0.666487D+00  0.272879D+00  0.339821D+01
      2   0.149815D+01 -0.666487D+00  0.175070D+01  0.139223D+01  0.128641D+01
      3  -0.220793D+01  0.272879D+00  0.139223D+01 -0.730773D+00 -0.211032D+01
                26            27            28            29            30 
      1   0.128641D+01 -0.211032D+01  0.189790D+01  0.120404D-01  0.394616D-02
      2   0.185802D+01 -0.101874D+01  0.120404D-01 -0.218971D+01 -0.167700D+01
      3  -0.101874D+01 -0.181139D+01  0.394616D-02 -0.167700D+01  0.242022D+00
                31            32            33            34            35 
      1   0.165779D-01 -0.215216D+01  0.201157D+01  0.888108D-02 -0.799015D-01
      2  -0.215216D+01 -0.789702D-02  0.177075D-02 -0.799015D-01  0.160188D-01
      3   0.201157D+01  0.177075D-02  0.383286D-02  0.146893D+00  0.398980D-02
                36            37            38            39            40 
      1   0.146893D+00  0.531649D+01  0.425869D+01 -0.201941D+01  0.635786D+01
      2   0.398980D-02  0.425869D+01  0.153977D+01 -0.320808D+01  0.364833D+01
      3   0.283230D-02 -0.201941D+01 -0.320808D+01  0.192658D+01 -0.393763D+01
                41            42            43            44            45 
      1   0.364833D+01 -0.393763D+01 -0.163849D+01 -0.208935D+01  0.253723D+01
      2   0.341108D+01 -0.268642D+01 -0.208935D+01 -0.140891D+01 -0.383412D-01
      3  -0.268642D+01  0.603853D+00  0.253723D+01 -0.383412D-01  0.744321D+00
                46            47            48            49            50 
      1  -0.307822D+01 -0.115768D+01 -0.269572D+00 -0.245583D+01 -0.262755D+01
      2  -0.115768D+01 -0.878047D+00  0.338049D+01 -0.262755D+01 -0.168611D+01
      3  -0.269572D+00  0.338049D+01 -0.190808D+01  0.342444D+01  0.274837D+01
                51            52            53            54            55 
      1   0.342444D+01  0.212418D+00  0.465111D+01 -0.297560D+01  0.616799D+00
      2   0.274837D+01  0.465111D+01  0.328594D+01 -0.899525D+00 -0.105704D+01
      3  -0.239018D+00 -0.297560D+01 -0.899525D+00  0.345943D+00  0.105208D+01
                56            57            58            59            60 
      1  -0.105704D+01  0.105208D+01 -0.233671D+00 -0.389054D+00 -0.292840D+01
      2  -0.235307D+01 -0.294725D+01 -0.389054D+00 -0.568772D+01 -0.345966D+01
      3  -0.294725D+01  0.881459D+00 -0.292840D+01 -0.345966D+01 -0.150389D+01
                61            62            63            64            65 
      1   0.164584D+01 -0.356461D+01  0.838594D+00  0.147882D+01  0.287028D+00
      2  -0.356461D+01 -0.505271D+01 -0.273449D+01  0.287028D+00  0.370455D+01
      3   0.838594D+00 -0.273449D+01 -0.202106D+00 -0.742292D+00  0.233032D+01
                66            67            68            69            70 
      1  -0.742292D+00 -0.435613D+00  0.912226D+00  0.165221D+01 -0.477687D+00
      2   0.233032D+01  0.912226D+00  0.117743D+02  0.505857D+01  0.100892D+01
      3  -0.536470D+00  0.165221D+01  0.505857D+01  0.167625D+01 -0.130652D+01
                71            72            73            74            75 
      1   0.100892D+01 -0.130652D+01 -0.955045D+01  0.487375D+01 -0.530998D+01
      2   0.328876D+01  0.200492D+01  0.487375D+01 -0.141680D+01  0.149062D+01
      3   0.200492D+01 -0.795903D+00 -0.530998D+01  0.149062D+01 -0.222122D+01
                76            77            78            79            80 
      1   0.171412D+01 -0.630590D+00  0.258862D+00 -0.340504D+01  0.128830D+01
      2  -0.630590D+00 -0.175928D+01 -0.139252D+01  0.128830D+01 -0.185987D+01
      3   0.258862D+00 -0.139252D+01  0.710929D+00 -0.212308D+01  0.100235D+01
                81            82            83            84            85 
      1  -0.212308D+01  0.535600D+01 -0.425157D+01  0.203293D+01 -0.635842D+01
      2   0.100235D+01 -0.425157D+01  0.153115D+01 -0.322153D+01  0.363006D+01
      3   0.181242D+01  0.203293D+01 -0.322153D+01  0.192059D+01 -0.395183D+01
                86            87            88            89            90 
      1   0.363006D+01 -0.395183D+01  0.163720D+01 -0.209357D+01  0.252923D+01
      2  -0.339424D+01  0.265775D+01 -0.209357D+01  0.138807D+01  0.467629D-01
      3   0.265775D+01 -0.598331D+00  0.252923D+01  0.467629D-01 -0.734137D+00
                91            92            93            94            95 
      1  -0.309741D+01  0.115288D+01  0.241852D+00  0.245958D+01 -0.263183D+01
      2   0.115288D+01 -0.891708D+00  0.340067D+01 -0.263183D+01  0.167890D+01
      3   0.241852D+00  0.340067D+01 -0.189763D+01  0.344249D+01 -0.272145D+01
                96            97            98            99           100 
      1   0.344249D+01 -0.245267D+00  0.466713D+01 -0.296491D+01  0.605465D+00
      2  -0.272145D+01  0.466713D+01 -0.324727D+01  0.881498D+00  0.107751D+01
      3   0.225678D+00 -0.296491D+01  0.881498D+00 -0.351575D+00 -0.102188D+01
               101           102           103           104           105 
      1   0.107751D+01 -0.102188D+01  0.240827D+00 -0.389452D+00 -0.294876D+01
      2  -0.235874D+01 -0.297206D+01 -0.389452D+00  0.563989D+01  0.342467D+01
      3  -0.297206D+01  0.860936D+00 -0.294876D+01  0.342467D+01  0.151645D+01
               106           107           108           109           110 
      1  -0.161127D+01 -0.359565D+01  0.812089D+00  0.148163D+01 -0.298738D+00
      2  -0.359565D+01  0.502199D+01  0.275317D+01 -0.298738D+00  0.374084D+01
      3   0.812089D+00  0.275317D+01  0.214028D+00  0.721570D+00  0.235266D+01
               111           112           113           114           115 
      1   0.721570D+00  0.434883D+00  0.951136D+00  0.167263D+01  0.467684D+00
      2   0.235266D+01  0.951136D+00 -0.117366D+02 -0.503965D+01  0.102413D+01
      3  -0.524534D+00  0.167263D+01 -0.503965D+01 -0.168524D+01 -0.129340D+01
               116           117           118           119           120 
      1   0.102413D+01 -0.129340D+01  0.513051D+01  0.224317D+00  0.154557D+01
      2  -0.329854D+01 -0.202404D+01  0.224317D+00  0.128976D+01 -0.265501D+00
      3  -0.202404D+01  0.794028D+00  0.154557D+01 -0.265501D+00  0.144433D+01
               121           122           123           124           125 
      1  -0.786304D+00  0.875620D+00 -0.563425D+00  0.269756D+01 -0.481356D+00
      2   0.875620D+00 -0.851349D+00  0.373735D+00 -0.481356D+00  0.854333D+00
      3  -0.563425D+00  0.373735D+00 -0.435659D+00  0.204153D+01  0.125845D-01
               126           127           128           129           130 
      1   0.204153D+01  0.458185D+01  0.302353D+01 -0.160259D+01  0.311363D+01
      2   0.125845D-01  0.302353D+01  0.270939D+01 -0.147875D+01  0.336384D+01
      3   0.211389D+01 -0.160259D+01 -0.147875D+01  0.143850D+01 -0.156022D+01
               131           132           133           134           135 
      1   0.336384D+01 -0.156022D+01 -0.287929D+01 -0.300632D+01  0.259347D+01
      2   0.564084D+01 -0.209348D+01 -0.300632D+01 -0.326873D+01  0.252979D+01
      3  -0.209348D+01  0.160743D+01  0.259347D+01  0.252979D+01 -0.276295D+01
               136           137           138           139           140 
      1  -0.248731D+01  0.110828D+01 -0.107296D+01  0.935397D+00 -0.112746D+01
      2   0.110828D+01 -0.223138D+01  0.899501D+00 -0.112746D+01  0.362548D+01
      3  -0.107296D+01  0.899501D+00 -0.116682D+01  0.561449D+00 -0.893715D+00
               141           142           143           144           145 
      1   0.561449D+00 -0.176662D+01  0.104079D+01 -0.105073D+01  0.150464D+01
      2  -0.893715D+00  0.104079D+01 -0.175519D+01  0.177104D+01  0.207144D+01
      3   0.992413D+00 -0.105073D+01  0.177104D+01 -0.220355D+01  0.580984D+00
               146           147           148           149           150 
      1   0.207144D+01  0.580984D+00  0.155690D+01  0.206048D+01  0.881474D+00
      2   0.244830D+01  0.963093D+00  0.206048D+01  0.955270D+01  0.294407D+01
      3   0.963093D+00  0.616093D+00  0.881474D+00  0.294407D+01  0.195574D+01
               151           152           153           154           155 
      1   0.502952D+00  0.162083D+01  0.823384D+00 -0.247102D+01 -0.111131D+01
      2   0.162083D+01  0.550552D+01  0.334624D+01 -0.111131D+01 -0.223247D+01
      3   0.823384D+00  0.334624D+01  0.252313D+01  0.106277D+01  0.900845D+00
               156           157           158           159           160 
      1   0.106277D+01 -0.941549D+00 -0.112528D+01  0.562532D+00  0.175356D+01
      2   0.900845D+00 -0.112528D+01 -0.365856D+01  0.901570D+00  0.104216D+01
      3  -0.115888D+01  0.562532D+00  0.901570D+00 -0.999878D+00 -0.103903D+01
               161           162           163           164           165 
      1   0.104216D+01 -0.103903D+01  0.153047D+01 -0.208545D+01 -0.593486D+00
      2   0.176980D+01 -0.177656D+01 -0.208545D+01  0.247424D+01  0.978404D+00
      3  -0.177656D+01  0.219525D+01 -0.593486D+00  0.978404D+00  0.630315D+00
               166           167           168           169           170 
      1  -0.156634D+01  0.207889D+01  0.893228D+00 -0.520716D+00  0.164514D+01
      2   0.207889D+01 -0.949203D+01 -0.293842D+01  0.164514D+01 -0.549962D+01
      3   0.893228D+00 -0.293842D+01 -0.195786D+01  0.842611D+00 -0.335160D+01
               171           172           173           174           175 
      1   0.842611D+00  0.512937D+01 -0.206675D+00 -0.153898D+01  0.805226D+00
      2  -0.335160D+01 -0.206675D+00  0.128730D+01 -0.273224D+00  0.876784D+00
      3  -0.253808D+01 -0.153898D+01 -0.273224D+00  0.144004D+01 -0.570037D+00
               176           177           178           179           180 
      1   0.876784D+00 -0.570037D+00 -0.268626D+01 -0.493336D+00  0.203622D+01
      2   0.870889D+00 -0.377128D+00 -0.493336D+00 -0.858292D+00 -0.111570D-02
      3  -0.377128D+00  0.443585D+00  0.203622D+01 -0.111570D-02 -0.210721D+01
               181           182           183           184           185 
      1   0.461906D+01 -0.303208D+01  0.161278D+01 -0.312474D+01  0.336772D+01
      2  -0.303208D+01  0.271425D+01 -0.148166D+01  0.336772D+01 -0.561464D+01
      3   0.161278D+01 -0.148166D+01  0.144228D+01 -0.156257D+01  0.208115D+01
               186           187           188           189           190 
      1  -0.156257D+01  0.289675D+01 -0.300699D+01  0.259865D+01  0.467076D+01
      2   0.208115D+01 -0.300699D+01  0.324506D+01 -0.251853D+01  0.949369D+00
      3  -0.160088D+01  0.259865D+01 -0.251853D+01  0.275759D+01  0.193788D+01
               191           192           193           194           195 
      1   0.949369D+00  0.193788D+01  0.273732D+01  0.136238D+00  0.194950D+01
      2   0.188682D+01  0.779189D+00  0.136238D+00  0.210116D+01 -0.410104D-01
      3   0.779189D+00  0.159508D+01  0.194950D+01 -0.410104D-01  0.146538D+01
               196           197           198           199           200 
      1   0.106020D+01  0.104456D+01  0.101118D+01 -0.166100D+01  0.135675D+01
      2   0.104456D+01  0.165545D+00  0.606606D+00  0.135675D+01 -0.102318D+01
      3   0.101118D+01  0.606606D+00  0.181753D+01 -0.129146D+00  0.105371D+01
               201           202           203           204           205 
      1  -0.129146D+00 -0.496535D-01 -0.236046D-01  0.314303D+00  0.130777D+01
      2   0.105371D+01 -0.236046D-01 -0.125133D+01  0.953403D+00 -0.305646D+00
      3  -0.171757D+01  0.314303D+00  0.953403D+00 -0.140222D+01  0.202473D+00
               206           207           208           209           210 
      1  -0.305646D+00  0.202473D+00 -0.366299D+01 -0.111035D+01 -0.166961D+01
      2   0.142765D+01 -0.141704D+01 -0.111035D+01 -0.385457D+01 -0.206651D+01
      3  -0.141704D+01  0.599237D+01 -0.166961D+01 -0.206651D+01 -0.197662D+01
               211           212           213           214           215 
      1  -0.172932D+01 -0.134182D+01 -0.988042D+00 -0.132861D+01 -0.866687D+00
      2  -0.134182D+01 -0.147781D+01 -0.285662D+00 -0.866687D+00  0.413101D-01
      3  -0.988042D+00 -0.285662D+00 -0.745648D+00 -0.100823D+01 -0.655054D+00
               216           217           218           219           220 
      1  -0.100823D+01  0.885410D+00 -0.685926D+00 -0.130270D+01 -0.493933D+00
      2  -0.655054D+00 -0.685926D+00  0.165238D+01  0.499268D+00 -0.994111D-01
      3  -0.186673D+01 -0.130270D+01  0.499268D+00  0.207914D+01 -0.241177D+00
               221           222           223           224           225 
      1  -0.994111D-01 -0.241177D+00 -0.115801D+01  0.226722D+00  0.116931D+01
      2   0.214059D+01  0.375260D+00  0.226722D+00 -0.160770D+01 -0.923196D+00
      3   0.375260D+00  0.654527D+00  0.116931D+01 -0.923196D+00 -0.582282D+01
               226           227           228           229           230 
      1   0.468922D+00  0.419016D+00  0.826881D+00  0.274148D+01 -0.124847D+01
      2   0.419016D+00 -0.109246D+01 -0.141414D+00 -0.124847D+01  0.600877D+01
      3   0.826881D+00 -0.141414D+00  0.187387D+00  0.965314D+00 -0.985059D+00
               231           232           233           234           235 
      1   0.965314D+00  0.181677D+01 -0.434482D+00  0.560878D+00  0.857442D+00
      2  -0.985059D+00 -0.434482D+00  0.267337D-01  0.482774D+00 -0.763160D+00
      3   0.132230D+01  0.560878D+00  0.482774D+00 -0.256660D+00  0.412894D-01
               236           237           238           239           240 
      1  -0.763160D+00  0.412894D-01 -0.127686D+01  0.996470D-01 -0.442906D+00
      2  -0.945561D-01 -0.388341D+00  0.996470D-01  0.746537D+00 -0.573111D+00
      3  -0.388341D+00  0.719785D+00 -0.442906D+00 -0.573111D+00 -0.363565D+00
               241           242           243           244           245 
      1  -0.201943D+01  0.287711D+00 -0.101921D+01 -0.367381D+01  0.111808D+01
      2   0.287711D+00 -0.106963D+01  0.123613D+01  0.111808D+01 -0.385441D+01
      3  -0.101921D+01  0.123613D+01 -0.744544D+01  0.168256D+01 -0.206286D+01
               246           247           248           249           250 
      1   0.168256D+01  0.172577D+01 -0.133734D+01 -0.983687D+00  0.133430D+01
      2  -0.206286D+01 -0.133734D+01  0.145276D+01  0.275308D+00 -0.861995D+00
      3  -0.198134D+01 -0.983687D+00  0.275308D+00  0.740423D+00 -0.101175D+01
               251           252           253           254           255 
      1  -0.861995D+00 -0.101175D+01  0.883423D+00  0.685494D+00  0.130578D+01
      2  -0.440416D-01  0.655508D+00  0.685494D+00  0.166827D+01  0.507847D+00
      3   0.655508D+00  0.187098D+01  0.130578D+01  0.507847D+00  0.208770D+01
               256           257           258           259           260 
      1   0.498826D+00 -0.865590D-01 -0.235042D+00  0.115739D+01  0.227219D+00
      2  -0.865590D-01 -0.213335D+01 -0.373030D+00  0.227219D+00  0.161233D+01
      3  -0.235042D+00 -0.373030D+00 -0.641069D+00  0.117041D+01  0.933921D+00
               261           262           263           264           265 
      1   0.117041D+01  0.469542D+01 -0.946340D+00 -0.193966D+01 -0.272643D+01
      2   0.933921D+00 -0.946340D+00  0.189422D+01  0.770028D+00  0.136378D+00
      3   0.582309D+01 -0.193966D+01  0.770028D+00  0.159171D+01  0.193785D+01
               266           267           268           269           270 
      1   0.136378D+00  0.193785D+01 -0.105558D+01  0.104250D+01  0.100311D+01
      2  -0.209647D+01  0.539802D-01  0.104250D+01 -0.151973D+00 -0.602112D+00
      3   0.539802D-01 -0.145278D+01  0.100311D+01 -0.602112D+00 -0.180189D+01
               271           272           273           274           275 
      1  -0.164769D+01 -0.136008D+01  0.125950D+00  0.396267D-01 -0.307815D-01
      2  -0.136008D+01 -0.103024D+01  0.105171D+01 -0.307815D-01  0.124002D+01
      3   0.125950D+00  0.105171D+01 -0.171564D+01  0.314973D+00 -0.943659D+00
               276           277           278           279           280 
      1   0.314973D+00 -0.131045D+01 -0.310865D+00  0.207329D+00 -0.109726D+01
      2  -0.943659D+00 -0.310865D+00 -0.143011D+01  0.141168D+01 -0.729823D+00
      3   0.138740D+01  0.207329D+00  0.141168D+01 -0.600570D+01 -0.105540D+01
               281           282           283           284           285 
      1  -0.729823D+00 -0.105540D+01 -0.155186D+01 -0.132438D+01 -0.581463D+00
      2  -0.392851D+00 -0.186255D+00 -0.132438D+01 -0.420617D+01 -0.211606D+01
      3  -0.186255D+00 -0.457578D+00 -0.581463D+00 -0.211606D+01 -0.227622D+01
               286           287           288           289           290 
      1  -0.166370D+01 -0.432572D+00 -0.970184D+00 -0.988708D+01  0.246642D+01
      2  -0.432572D+00 -0.156614D+01 -0.149023D+01  0.246642D+01 -0.164023D+01
      3  -0.970184D+00 -0.149023D+01 -0.221347D+01 -0.271889D+01  0.665767D+00
               291           292           293           294           295 
      1  -0.271889D+01  0.492899D+01 -0.263227D+01  0.160293D+01 -0.302484D+01
      2   0.665767D+00 -0.263227D+01  0.137399D+01 -0.128705D+01  0.843768D+00
      3  -0.191463D+01  0.160293D+01 -0.128705D+01  0.938472D+00 -0.255148D+01
               296           297           298           299           300 
      1   0.843768D+00 -0.255148D+01 -0.985234D+01 -0.249155D+01  0.269964D+01
      2  -0.757587D+00  0.648137D+00 -0.249155D+01 -0.165733D+01  0.668263D+00
      3   0.648137D+00 -0.156174D+01  0.269964D+01  0.668263D+00 -0.190295D+01
               301           302           303           304           305 
      1  -0.495995D+01 -0.266065D+01  0.160475D+01  0.300403D+01  0.847916D+00
      2  -0.266065D+01 -0.140464D+01  0.129259D+01  0.847916D+00  0.761205D+00
      3   0.160475D+01  0.129259D+01 -0.943537D+00 -0.253963D+01 -0.656323D+00
               306           307           308           309           310 
      1  -0.253963D+01 -0.111966D+01  0.734896D+00  0.105936D+01  0.156332D+01
      2  -0.656323D+00  0.734896D+00 -0.410613D+00 -0.193886D+00 -0.134195D+01
      3   0.155011D+01  0.105936D+01 -0.193886D+00 -0.468624D+00 -0.590920D+00
               311           312           313           314           315 
      1  -0.134195D+01 -0.590920D+00  0.166837D+01 -0.436554D+00 -0.977669D+00
      2   0.419491D+01  0.211139D+01 -0.436554D+00  0.156156D+01  0.148542D+01
      3   0.211139D+01  0.227370D+01 -0.977669D+00  0.148542D+01  0.221026D+01
               316           317           318           319           320 
      1   0.845363D+00  0.767808D+00 -0.384399D-01  0.128667D+01  0.109958D+00
      2   0.767808D+00 -0.878631D-01 -0.387646D+00  0.109958D+00 -0.740901D+00
      3  -0.384399D-01 -0.387646D+00  0.711286D+00 -0.447617D+00  0.568350D+00
               321           322           323           324           325 
      1  -0.447617D+00  0.201739D+01  0.291940D+00 -0.102173D+01  0.488316D+00
      2   0.568350D+00  0.291940D+00  0.106866D+01 -0.122813D+01 -0.406357D+00
      3   0.379668D+00 -0.102173D+01 -0.122813D+01  0.744809D+01 -0.830246D+00
               326           327           328           329           330 
      1  -0.406357D+00 -0.830246D+00 -0.273507D+01 -0.124026D+01  0.961731D+00
      2  -0.106924D+01 -0.146963D+00 -0.124026D+01 -0.602062D+01  0.998439D+00
      3  -0.146963D+00  0.192180D+00  0.961731D+00  0.998439D+00 -0.132533D+01
               331           332           333 
      1  -0.180984D+01 -0.438207D+00  0.559114D+00
      2  -0.438207D+00 -0.194613D-01 -0.482203D+00
      3   0.559114D+00 -0.482203D+00  0.263593D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.242329D+01 -0.272055D+00 -0.152326D-01  0.490995D+00 -0.221525D+01
      2  -0.272020D+01 -0.721807D+01  0.791759D+01 -0.815659D+01 -0.858216D+01
      3  -0.819447D+01 -0.230779D+01  0.334201D+01  0.135301D+01  0.107010D+02
                 6             7             8             9            10 
      1  -0.440613D+01  0.769928D+00 -0.669908D+00 -0.475635D+00  0.243306D+01
      2  -0.639139D+01  0.265687D+01 -0.219963D+00  0.156547D+00  0.277332D+01
      3   0.925802D+01  0.387662D+01  0.982442D+01  0.342994D+01  0.822704D+01
                11            12            13            14            15 
      1   0.340737D+00 -0.436644D-02 -0.421731D+00 -0.222817D+01 -0.441899D+01
      2  -0.725495D+01  0.791410D+01 -0.821999D+01  0.849841D+01  0.639251D+01
      3  -0.216312D+01  0.339547D+01  0.149899D+01 -0.106865D+02 -0.924408D+01
                16            17            18            19            20 
      1  -0.778968D+00 -0.662083D+00 -0.466245D+00  0.109044D+00  0.704528D+01
      2   0.262467D+01  0.207197D+00 -0.139135D+00 -0.160070D+02  0.489617D+00
      3   0.393113D+01 -0.982049D+01 -0.341380D+01 -0.902825D+01  0.464084D+01
                21            22            23            24            25 
      1   0.107279D+01  0.170678D+02  0.151798D+02 -0.957682D+01  0.957582D+01
      2  -0.327070D+01 -0.141156D+01 -0.276462D+01 -0.630638D+00 -0.228858D+02
      3  -0.148466D+00  0.241491D+02  0.166862D+02 -0.882430D+01  0.217410D+01
                26            27            28            29            30 
      1   0.623992D+01 -0.127935D+02 -0.261964D+01 -0.726159D-02  0.116538D-01
      2  -0.830243D+01  0.214638D+02 -0.168814D-01  0.222016D+01  0.787304D-01
      3  -0.267564D+01  0.668706D+00 -0.265407D-02 -0.176466D+00  0.139530D+01
                31            32            33            34            35 
      1  -0.272733D-01  0.737478D+00  0.371659D+00  0.665659D-03 -0.291425D+01
      2   0.504815D-01 -0.161857D-02 -0.971632D-02  0.387128D+01  0.119978D-01
      3  -0.196914D+01  0.152023D-01  0.278520D-01  0.672523D+00  0.894691D-02
                36            37            38            39            40 
      1   0.181353D+00 -0.802075D+01  0.759159D+01  0.774974D+01  0.100622D+02
      2  -0.119129D-01 -0.182177D+02 -0.811580D+01  0.768681D+01  0.156452D+01
      3  -0.156369D-02 -0.231860D+02 -0.339870D+01  0.125838D+02  0.156372D+02
                41            42            43            44            45 
      1   0.955205D+01 -0.273386D+01  0.116723D+02  0.854799D+01 -0.737686D+01
      2  -0.415480D+00 -0.979770D+01 -0.164847D+02 -0.166445D+02  0.174196D+02
      3   0.142382D+02 -0.635003D+01  0.562875D+01 -0.510724D+01  0.274703D+01
                46            47            48            49            50 
      1   0.647039D+01 -0.387781D+01  0.313616D+01 -0.284792D+01 -0.719423D+01
      2  -0.420817D+01  0.520811D+01 -0.245060D+01  0.351816D+01  0.519697D+01
      3  -0.439127D+01  0.121861D+01 -0.906943D+01  0.775241D+01 -0.227884D+01
                51            52            53            54            55 
      1  -0.724066D+01  0.163489D+01 -0.362377D+01  0.121254D+01 -0.737483D+00
      2   0.353931D+01 -0.440656D+01  0.434721D+01 -0.121444D+01 -0.943891D+00
      3  -0.364553D+01 -0.135322D+02 -0.160050D+01 -0.594454D+01  0.686559D+01
                56            57            58            59            60 
      1   0.810366D+01 -0.772584D+01  0.979833D+01  0.166625D+01 -0.667091D+00
      2  -0.348835D+01  0.474756D+01 -0.321467D+01  0.103811D+01  0.865822D+00
      3  -0.610545D+01  0.164073D+01  0.440929D-01 -0.660801D+00 -0.939885D+01
                61            62            63            64            65 
      1  -0.714826D+01  0.595249D+00 -0.133584D+01  0.617641D+00  0.239786D+01
      2   0.488247D+00  0.108940D+01  0.423300D+00 -0.295786D+01  0.163295D+02
      3   0.574445D+01 -0.122592D+02  0.636261D+01  0.331443D+00 -0.294162D+02
                66            67            68            69            70 
      1   0.727939D+01 -0.353190D+01 -0.159873D+02  0.265507D+01  0.701113D+01
      2   0.111616D+02  0.908575D+01 -0.404400D+01 -0.494736D+01  0.122243D+01
      3  -0.120115D+02 -0.915769D+01  0.864395D+01  0.792438D+01 -0.682296D+01
                71            72            73            74            75 
      1   0.272669D+02  0.179226D+02  0.152223D+00 -0.710773D+01 -0.100455D+01
      2  -0.115292D+01  0.210484D+01  0.160813D+02  0.495754D+00 -0.319941D+01
      3   0.233696D+01 -0.266840D+01  0.895517D+01  0.470662D+01 -0.162986D+00
                76            77            78            79            80 
      1  -0.171018D+02  0.150891D+02 -0.955301D+01 -0.951973D+01  0.621329D+01
      2  -0.144064D+01  0.283252D+01  0.616152D+00 -0.228683D+02  0.828352D+01
      3   0.241609D+02 -0.165731D+02  0.879008D+01  0.218088D+01  0.267422D+01
                81            82            83            84            85 
      1  -0.127163D+02 -0.802500D+01 -0.761366D+01 -0.780818D+01 -0.101216D+02
      2  -0.215185D+02  0.181374D+02 -0.811956D+01  0.763189D+01  0.160328D+01
      3  -0.704219D+00  0.230887D+02 -0.333227D+01  0.125983D+02  0.157520D+02
                86            87            88            89            90 
      1   0.949559D+01 -0.278787D+01 -0.116615D+02  0.844449D+01 -0.732533D+01
      2   0.382930D+00  0.985931D+01 -0.165459D+02  0.166257D+02 -0.173930D+02
      3  -0.142132D+02  0.641999D+01  0.561493D+01  0.514965D+01 -0.274738D+01
                91            92            93            94            95 
      1   0.642901D+01  0.391969D+01 -0.306505D+01  0.289234D+01 -0.711357D+01
      2   0.420870D+01  0.526463D+01 -0.241573D+01  0.354993D+01 -0.514826D+01
      3   0.437602D+01  0.128356D+01 -0.909172D+01  0.777007D+01  0.231548D+01
                96            97            98            99           100 
      1  -0.726218D+01 -0.157090D+01 -0.364884D+01  0.118837D+01 -0.650535D+00
      2  -0.360310D+01 -0.436236D+01 -0.441388D+01  0.120602D+01  0.977641D+00
      3   0.357464D+01 -0.135219D+02  0.150382D+01  0.594498D+01 -0.681599D+01
               101           102           103           104           105 
      1  -0.814601D+01  0.766231D+01 -0.983712D+01  0.165392D+01 -0.584504D+00
      2  -0.351554D+01  0.476890D+01 -0.325262D+01 -0.105509D+01 -0.848725D+00
      3  -0.618600D+01  0.159005D+01 -0.998780D-03  0.578925D+00  0.943021D+01
               106           107           108           109           110 
      1   0.708813D+01  0.672793D+00 -0.129693D+01  0.592064D+00 -0.240076D+01
      2   0.501983D+00 -0.108550D+01 -0.420348D+00  0.287526D+01  0.163101D+02
      3   0.567236D+01  0.123182D+02 -0.631077D+01 -0.201414D+00 -0.293692D+02
               111           112           113           114           115 
      1  -0.732584D+01  0.357183D+01 -0.160307D+02  0.256917D+01 -0.709728D+01
      2   0.111072D+02  0.909771D+01  0.408624D+01  0.500224D+01  0.118477D+01
      3  -0.119693D+02 -0.911992D+01 -0.877550D+01 -0.796933D+01 -0.679621D+01
               116           117           118           119           120 
      1   0.272388D+02  0.179460D+02 -0.451263D+01  0.102730D+01 -0.315276D+01
      2   0.124377D+01 -0.205038D+01  0.535193D+01 -0.107825D+01  0.546517D+01
      3  -0.236218D+01  0.265562D+01  0.121523D+02 -0.449345D+01  0.503148D+01
               121           122           123           124           125 
      1   0.155606D+01 -0.110511D+01  0.776210D+00 -0.447784D+01  0.230489D+01
      2  -0.194514D+01  0.142400D+01 -0.224295D+01  0.461962D+01 -0.641988D+00
      3  -0.390498D+01  0.706379D+01 -0.296606D+01  0.849174D+01 -0.494796D+01
               126           127           128           129           130 
      1  -0.609858D+01  0.145915D+01  0.904887D+00 -0.357578D+01  0.188639D+01
      2   0.715868D+01 -0.697124D+00 -0.112531D+01  0.355917D+01 -0.174800D+01
      3   0.513338D+01  0.459843D+01 -0.395645D+00 -0.883678D+00  0.805617D+00
               131           132           133           134           135 
      1   0.921686D+00 -0.405420D+01 -0.159307D+01  0.458847D+00  0.523186D+01
      2  -0.228791D+01  0.352643D+01  0.888184D+00  0.179721D+01 -0.479971D+01
      3  -0.562588D+01  0.805231D+00  0.133091D+01  0.402087D+01  0.132676D+00
               136           137           138           139           140 
      1   0.473390D+01 -0.354454D+01  0.522979D+01 -0.246185D+01  0.364011D+01
      2  -0.985749D+00  0.677975D+00  0.332993D+00  0.577838D+00 -0.755294D+00
      3  -0.123210D+02  0.373141D+01 -0.520841D+01  0.435449D+01 -0.700035D+01
               141           142           143           144           145 
      1  -0.394213D+01  0.451770D+01 -0.437514D+01  0.921089D+01 -0.418493D+00
      2   0.185997D+00 -0.230284D+01  0.521390D+00 -0.165393D+01 -0.389634D+00
      3   0.279590D+01 -0.853214D+01  0.484000D+01 -0.517065D+01  0.318658D+01
               146           147           148           149           150 
      1  -0.205959D+01 -0.190228D+01 -0.828290D+00 -0.349764D+01 -0.681671D+01
      2   0.598448D-01  0.872566D+00 -0.515528D+00  0.104202D+01  0.199036D+01
      3   0.375865D+01  0.993234D+00  0.507351D+01 -0.210414D+01 -0.385132D+00
               151           152           153           154           155 
      1  -0.382003D+00 -0.201175D+01 -0.660172D+01  0.468793D+01  0.356343D+01
      2  -0.144908D+01  0.253559D+00  0.203947D+01  0.984216D+00  0.690493D+00
      3   0.263232D+01  0.317637D+01 -0.250665D+00  0.122727D+02  0.378934D+01
               156           157           158           159           160 
      1  -0.520418D+01  0.247596D+01  0.366879D+01 -0.398242D+01 -0.447302D+01
      2   0.321386D+00  0.589940D+00  0.764830D+00 -0.200473D+00 -0.230230D+01
      3  -0.517681D+01  0.440504D+01  0.705907D+01 -0.281798D+01 -0.849687D+01
               161           162           163           164           165 
      1  -0.441056D+01  0.918308D+01 -0.439935D+00  0.207392D+01  0.194134D+01
      2  -0.549796D+00  0.167882D+01  0.393271D+00  0.705570D-01  0.891690D+00
      3  -0.488178D+01  0.515308D+01 -0.323482D+01  0.374343D+01  0.100132D+01
               166           167           168           169           170 
      1   0.856642D+00 -0.350403D+01 -0.680542D+01  0.412169D+00 -0.202733D+01
      2  -0.505329D+00 -0.106255D+01 -0.201465D+01 -0.144918D+01 -0.264062D+00
      3   0.504325D+01  0.212917D+01  0.380913D+00  0.265800D+01 -0.317879D+01
               171           172           173           174           175 
      1  -0.663446D+01 -0.447779D+01 -0.103944D+01  0.312057D+01 -0.156389D+01
      2  -0.207688D+01 -0.535234D+01 -0.110768D+01  0.545923D+01 -0.197066D+01
      3   0.234461D+00 -0.121383D+02 -0.454301D+01  0.502378D+01 -0.394800D+01
               176           177           178           179           180 
      1  -0.112004D+01  0.789315D+00  0.443610D+01  0.233739D+01 -0.605661D+01
      2  -0.145104D+01  0.227897D+01  0.462100D+01  0.683767D+00 -0.716236D+01
      3  -0.713645D+01  0.299489D+01  0.846776D+01  0.499714D+01 -0.513471D+01
               181           182           183           184           185 
      1   0.146077D+01 -0.897315D+00  0.357387D+01 -0.187418D+01  0.894887D+00
      2   0.706660D+00 -0.113120D+01  0.358191D+01 -0.175536D+01  0.227002D+01
      3  -0.460828D+01 -0.437203D+00 -0.877548D+00  0.765652D+00  0.562660D+01
               186           187           188           189           190 
      1  -0.402865D+01  0.158004D+01  0.472393D+00  0.520430D+01  0.470779D+01
      2  -0.352608D+01  0.887010D+00 -0.177713D+01  0.480552D+01 -0.323484D+01
      3  -0.803297D+00  0.133734D+01 -0.399608D+01 -0.135304D+00 -0.743504D+01
               191           192           193           194           195 
      1   0.422300D+01  0.330341D+01  0.442111D+01  0.572218D+01  0.207407D+01
      2  -0.106901D+01  0.661406D+00 -0.477602D+01  0.576038D+00 -0.478327D+00
      3  -0.606520D+01 -0.368188D+01 -0.659743D+01 -0.669441D+01 -0.372528D+01
               196           197           198           199           200 
      1   0.220155D+01  0.230626D+01  0.275106D+01  0.153697D+01 -0.182152D+01
      2   0.590280D+00  0.626511D+00  0.117553D+01 -0.531606D+00  0.253365D+01
      3  -0.210371D+01 -0.841786D+00 -0.305164D+01 -0.207990D+01  0.250902D+01
               201           202           203           204           205 
      1  -0.695761D+00  0.422495D+00 -0.446881D+00 -0.769623D+00 -0.407634D-01
      2  -0.582224D+01  0.153785D+01  0.177922D+01 -0.291309D+01 -0.164384D+01
      3  -0.282015D+01  0.140484D+01  0.131494D+01 -0.187335D+01 -0.122936D+00
               206           207           208           209           210 
      1   0.147647D+01  0.418875D+01 -0.312328D+01  0.322542D+01 -0.197248D+01
      2  -0.300691D+01  0.120422D+02 -0.851869D+01 -0.378998D+01 -0.336055D+01
      3  -0.243813D+01  0.252952D+01  0.124740D+02  0.358655D+01  0.584968D+01
               211           212           213           214           215 
      1   0.159448D+00 -0.872044D+00 -0.165408D+01 -0.246159D+01 -0.505421D+00
      2  -0.192821D+01 -0.103020D+01 -0.115988D+01 -0.260091D+01 -0.491481D+00
      3   0.304319D+01  0.195347D+01  0.136718D+01  0.230771D+01  0.142882D+01
               216           217           218           219           220 
      1  -0.240867D+01 -0.238726D+01 -0.325035D+00  0.525863D+01 -0.346113D+00
      2  -0.188616D+01  0.191220D+01 -0.157008D+01 -0.163173D+01  0.730187D+00
      3   0.310236D+01 -0.236416D+01  0.109216D+01  0.309714D+01 -0.546628D-01
               221           222           223           224           225 
      1   0.787070D+00  0.289890D+01  0.236171D+01  0.454134D-01 -0.122334D+02
      2  -0.210640D+01 -0.136949D+01 -0.266854D+01  0.725829D+00  0.199701D+01
      3   0.302625D+01  0.145136D+01  0.230235D+01 -0.116074D+01 -0.262985D+01
               226           227           228           229           230 
      1   0.517712D+00 -0.941589D+00  0.788902D+00  0.228267D+01 -0.104831D+02
      2   0.142997D+01  0.660916D+00  0.152428D+01  0.300550D+01  0.579872D+00
      3   0.644028D+00  0.421609D+00 -0.522653D+00  0.111120D+01  0.127181D+02
               231           232           233           234           235 
      1   0.402335D-01  0.226305D+01 -0.226199D+01  0.105100D+00 -0.157025D+01
      2  -0.938676D+00  0.191785D+01 -0.187790D+01  0.899384D+00  0.148283D+01
      3  -0.154766D+01  0.284806D+00  0.205825D+01  0.509012D+00  0.178288D+01
               236           237           238           239           240 
      1   0.704371D+00 -0.189846D+01  0.822141D+00  0.120190D+00  0.168045D+01
      2   0.118998D+01 -0.261827D+01 -0.357338D+00  0.156418D+01  0.790535D+00
      3  -0.740334D+00 -0.385116D+00 -0.212371D-01  0.579755D+00 -0.170979D+01
               241           242           243           244           245 
      1   0.160311D+01  0.631039D+00  0.725172D+01 -0.313580D+01 -0.320773D+01
      2  -0.165327D+01 -0.278904D+01  0.145608D+02  0.851409D+01 -0.378271D+01
      3  -0.248030D+01 -0.144336D+01  0.147472D+01 -0.124836D+02  0.355501D+01
               246           247           248           249           250 
      1   0.200087D+01 -0.157838D+00 -0.888918D+00 -0.165299D+01  0.247529D+01
      2  -0.335636D+01 -0.190312D+01  0.100476D+01  0.114372D+01 -0.259338D+01
      3   0.585635D+01  0.300539D+01 -0.193770D+01 -0.135057D+01  0.231530D+01
               251           252           253           254           255 
      1  -0.498059D+00 -0.241957D+01 -0.238993D+01  0.317943D+00 -0.527813D+01
      2   0.489040D+00  0.188113D+01 -0.192716D+01 -0.158627D+01 -0.165551D+01
      3  -0.143317D+01 -0.311199D+01  0.237273D+01  0.111601D+01  0.311178D+01
               256           257           258           259           260 
      1   0.331205D+00  0.765166D+00  0.285874D+01 -0.236361D+01  0.246036D-01
      2   0.714711D+00  0.210581D+01  0.137041D+01 -0.267794D+01 -0.739550D+00
      3  -0.382461D-01 -0.301667D+01 -0.143963D+01  0.230527D+01  0.117287D+01
               261           262           263           264           265 
      1  -0.122233D+02  0.472693D+01 -0.422800D+01 -0.329049D+01 -0.440199D+01
      2  -0.204352D+01  0.328286D+01 -0.108574D+01  0.653107D+00 -0.479578D+01
      3   0.264313D+01  0.749873D+01 -0.609471D+01 -0.367794D+01 -0.661264D+01
               266           267           268           269           270 
      1   0.570897D+01  0.203770D+01 -0.218973D+01  0.228399D+01  0.272552D+01
      2  -0.552979D+00  0.485348D+00  0.601489D+00 -0.615861D+00 -0.116182D+01
      3   0.669354D+01  0.368917D+01 -0.208369D+01  0.815506D+00  0.303095D+01
               271           272           273           274           275 
      1   0.151657D+01  0.180875D+01  0.718128D+00 -0.423008D+00 -0.430586D+00
      2   0.542183D+00  0.253939D+01 -0.581941D+01  0.153965D+01 -0.175555D+01
      3   0.207522D+01  0.250723D+01 -0.280937D+01  0.140991D+01 -0.128905D+01
               276           277           278           279           280 
      1  -0.771105D+00  0.394382D-01  0.147579D+01  0.424364D+01  0.732551D+00
      2   0.286852D+01 -0.163115D+01  0.299557D+01 -0.120656D+02  0.401345D+01
      3   0.185522D+01 -0.120590D+00  0.243878D+01 -0.251248D+01 -0.286280D+01
               281           282           283           284           285 
      1   0.685690D-01  0.140771D+00  0.136840D+01  0.533337D+01  0.659815D+00
      2  -0.520701D+00  0.370531D+00 -0.489255D+00  0.628122D+01  0.827488D+01
      3  -0.874200D+00 -0.534463D+00 -0.141354D+01 -0.162346D+02 -0.765170D+01
               286           287           288           289           290 
      1   0.140385D+00  0.305668D+01  0.118702D+01 -0.126488D+01  0.156532D+01
      2  -0.348951D+00  0.519648D+01  0.640862D+01 -0.136804D+01 -0.253877D+00
      3  -0.121546D+01 -0.587331D+01 -0.588587D+01  0.427473D+01 -0.642732D+01
               291           292           293           294           295 
      1  -0.575088D-01  0.166787D+01 -0.140139D+01 -0.871812D-01 -0.351546D-01
      2   0.580014D+01  0.451341D+01  0.111628D+01 -0.121382D+01  0.248316D+01
      3   0.200311D+01 -0.297831D+01  0.464553D+01 -0.336416D+01 -0.319481D+00
               296           297           298           299           300 
      1   0.132357D+01  0.606484D-01 -0.126200D+01 -0.156022D+01  0.324551D-01
      2  -0.158325D+01  0.278362D+01  0.134708D+01 -0.248938D+00  0.579397D+01
      3  -0.313295D+01  0.999737D+00 -0.426641D+01 -0.644105D+01  0.198907D+01
               301           302           303           304           305 
      1  -0.169177D+01 -0.140981D+01 -0.972723D-01  0.268812D-01  0.131160D+01
      2   0.453439D+01 -0.109883D+01  0.124091D+01  0.248079D+01  0.159725D+01
      3  -0.299906D+01 -0.470390D+01  0.336885D+01 -0.324413D+00  0.312573D+01
               306           307           308           309           310 
      1   0.685009D-01  0.746393D+00 -0.966163D-01 -0.146253D+00 -0.139247D+01
      2  -0.275987D+01 -0.400272D+01 -0.497354D+00  0.416407D+00 -0.463700D+00
      3  -0.100312D+01  0.286087D+01 -0.959287D+00 -0.576047D+00 -0.150792D+01
               311           312           313           314           315 
      1   0.533299D+01  0.675983D+00 -0.155625D+00  0.306717D+01  0.120041D+01
      2  -0.625179D+01 -0.827026D+01 -0.313653D+00 -0.517963D+01 -0.640259D+01
      3   0.162288D+02  0.764438D+01 -0.124806D+01  0.587017D+01  0.588098D+01
               316           317           318           319           320 
      1  -0.155809D+01 -0.715557D+00  0.189472D+01 -0.836713D+00  0.123853D+00
      2  -0.148186D+01  0.117562D+01 -0.259382D+01 -0.363536D+00 -0.155678D+01
      3  -0.178748D+01 -0.753582D+00 -0.377416D+00 -0.409005D-01 -0.575339D+00
               321           322           323           324           325 
      1   0.170737D+01 -0.160695D+01  0.620598D+00  0.731280D+01  0.540350D+00
      2  -0.823649D+00 -0.165376D+01  0.276255D+01 -0.145388D+02 -0.145384D+01
      3   0.171238D+01 -0.248849D+01  0.142641D+01 -0.144400D+01 -0.634981D+00
               326           327           328           329           330 
      1   0.980682D+00 -0.792344D+00 -0.226557D+01 -0.104804D+02  0.550240D-01
      2   0.658763D+00  0.151916D+01  0.299973D+01 -0.622881D+00  0.948557D+00
      3   0.468882D+00 -0.536168D+00  0.112925D+01 -0.127121D+02  0.157519D+01
               331           332           333 
      1  -0.225489D+01 -0.225567D+01  0.105376D+00
      2   0.189846D+01  0.187832D+01 -0.905028D+00
      3   0.280171D+00 -0.203385D+01 -0.511966D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.251311D+02  0.264772D+02 -0.228581D+02  0.322662D+02 -0.367808D+01
      2   0.163212D+02 -0.153434D+02  0.113817D+02 -0.187931D+02  0.365721D+01
      3   0.880990D+01 -0.111337D+02  0.114764D+02 -0.134732D+02  0.208778D-01
      4   0.235256D+02 -0.660943D+01  0.425432D+01 -0.898060D+01 -0.112998D+02
      5  -0.224263D+02  0.573921D+01 -0.794276D+01  0.103851D+02 -0.189529D+02
      6   0.763002D+01 -0.575272D+00 -0.737776D+00 -0.470966D+01 -0.493395D+01
                 6             7             8             9            10 
      1   0.794224D+01 -0.148756D+02  0.526196D+01 -0.445693D+01 -0.247579D+02
      2  -0.489340D+01  0.657179D+01 -0.344359D+01  0.385250D+00  0.159959D+02
      3  -0.304884D+01  0.830379D+01 -0.181837D+01  0.407168D+01  0.876207D+01
      4  -0.163242D+02  0.461232D+01 -0.133894D+02 -0.353402D+01 -0.236476D+02
      5  -0.556390D+01 -0.810991D+01 -0.361473D+01  0.340314D+01  0.222743D+02
      6  -0.621658D+01  0.561752D-01 -0.563287D+01 -0.155015D+01  0.766087D+01
                11            12            13            14            15 
      1  -0.265139D+02  0.227852D+02 -0.323491D+02 -0.412348D+01  0.782339D+01
      2   0.153235D+02 -0.112982D+02  0.187992D+02  0.391983D+01 -0.478532D+01
      3   0.111904D+02 -0.114870D+02  0.135498D+02  0.203649D+00 -0.303807D+01
      4  -0.697397D+01  0.426007D+01 -0.942082D+01  0.112164D+02  0.163979D+02
      5   0.566498D+01 -0.786052D+01  0.102975D+02  0.190465D+02  0.558068D+01
      6   0.655018D+00  0.761981D+00  0.481783D+01 -0.482923D+01 -0.616770D+01
                16            17            18            19            20 
      1   0.147830D+02  0.512733D+01 -0.439095D+01  0.188887D+02  0.139414D+02
      2  -0.648339D+01 -0.332721D+01  0.371711D+00 -0.189769D+02 -0.102875D+02
      3  -0.829963D+01 -0.180013D+01  0.401923D+01  0.882053D-01 -0.365389D+01
      4   0.457409D+01  0.134450D+02  0.353385D+01  0.513687D+01 -0.998098D+00
      5  -0.805519D+01  0.362794D+01 -0.342690D+01 -0.122069D+02 -0.339172D+01
      6  -0.321156D-01 -0.561200D+01 -0.155051D+01 -0.781366D+01  0.139398D+01
                21            22            23            24            25 
      1  -0.133220D+02  0.588037D+01  0.328171D+01  0.169549D+01 -0.560319D+01
      2   0.122226D+02 -0.464382D+01 -0.987271D+01  0.476413D+00  0.591274D+01
      3   0.109935D+01 -0.123655D+01  0.659099D+01 -0.217190D+01 -0.309548D+00
      4  -0.100736D+01 -0.785168D+00 -0.124721D+02 -0.139296D+01 -0.854580D+00
      5   0.784981D+01 -0.178341D+01 -0.262117D+01  0.168872D+01  0.574510D+01
      6   0.169318D+01  0.119096D+00  0.490201D+01  0.316513D+01  0.131048D+00
                26            27            28            29            30 
      1  -0.529143D+00  0.119454D+02 -0.121929D+02 -0.524395D-02  0.211822D-01
      2  -0.579605D+00  0.444818D+01  0.274688D+01  0.934973D-04 -0.260638D-01
      3   0.110875D+01 -0.163935D+02  0.944600D+01  0.515046D-02  0.488157D-02
      4   0.514395D+00 -0.177627D+01 -0.124281D-02 -0.638378D+01 -0.489821D+01
      5  -0.523628D+00  0.790109D+01  0.184570D-01 -0.285203D+01 -0.221044D+01
      6   0.282248D+01  0.299772D+01 -0.257730D+01 -0.489809D-02  0.613440D-02
                31            32            33            34            35 
      1  -0.141587D-01  0.246859D+01 -0.507350D+01  0.174832D-01 -0.803328D+01
      2   0.125010D-01 -0.113411D+02  0.650083D+01 -0.223817D-01  0.879908D+01
      3   0.165774D-02  0.887247D+01 -0.142733D+01  0.489849D-02 -0.765803D+00
      4  -0.795460D+01  0.315383D-02 -0.232846D-01 -0.831153D+01 -0.150858D-01
      5  -0.253787D+01 -0.546961D-02 -0.721355D-02  0.535149D+01 -0.376647D-02
      6  -0.383761D-02  0.344799D+01 -0.189708D+01  0.860766D-02  0.415362D+01
                36            37            38            39            40 
      1  -0.282852D+00 -0.837458D+01  0.162250D+01  0.108948D+02  0.292600D+00
      2  -0.340580D+00  0.128183D+02 -0.371978D+01 -0.827289D+01  0.136526D+01
      3   0.623433D+00 -0.444376D+01  0.209728D+01 -0.262188D+01 -0.165786D+01
      4  -0.419650D-02  0.128646D+02  0.721623D+01 -0.891911D+01  0.115470D+02
      5   0.134734D-01  0.286711D+01 -0.119988D+02  0.227168D+01 -0.115178D+02
      6  -0.813006D+00 -0.423288D+01 -0.571382D+01  0.670966D+01 -0.480645D+01
                41            42            43            44            45 
      1  -0.688399D+01 -0.545829D+01  0.920877D+01 -0.557469D+01  0.643123D+01
      2   0.617161D+01 -0.488878D+01 -0.485448D+01 -0.894259D+00  0.302764D+01
      3   0.712380D+00  0.103471D+02 -0.435429D+01  0.646895D+01 -0.945887D+01
      4   0.103690D+02 -0.104219D+02 -0.303128D+01 -0.618443D+01  0.293359D+01
      5  -0.515389D+01  0.374479D+01  0.123679D+01  0.117254D+01  0.182955D+01
      6  -0.346887D+01  0.746069D+00  0.440382D+01 -0.342796D+00  0.697358D+01
                46            47            48            49            50 
      1  -0.823864D+01  0.121360D+01 -0.138491D+02  0.247560D+01 -0.121164D+01
      2   0.196139D+01 -0.196679D+01  0.182005D+02 -0.770390D+01 -0.164050D+00
      3   0.627725D+01  0.753192D+00 -0.435139D+01  0.522829D+01  0.137568D+01
      4  -0.142173D+02 -0.876537D+01  0.911976D+01 -0.164991D+02 -0.127199D+02
      5  -0.328487D+01  0.137080D+02 -0.897453D+01  0.144754D+02  0.135698D+02
      6   0.222216D+01  0.157509D+02 -0.986801D+01  0.161260D+02  0.130285D+02
                51            52            53            54            55 
      1   0.629432D+01 -0.162941D+02  0.737766D+01 -0.945520D+01  0.430620D+01
      2   0.787672D+01  0.203726D+02  0.499786D+01  0.454458D+01 -0.441277D+01
      3  -0.141710D+02 -0.407855D+01 -0.123755D+02  0.491062D+01  0.106576D+00
      4   0.215509D+02  0.135466D+02  0.252952D+02 -0.118867D+02  0.309051D+01
      5  -0.194584D+01 -0.136860D+02 -0.454570D+01  0.148758D+01  0.147582D+01
      6  -0.551949D+01 -0.129235D+02 -0.578613D+01  0.243914D+01  0.484916D+01
                56            57            58            59            60 
      1   0.501200D+01  0.109036D+02  0.226652D+01  0.185824D+02  0.384298D+01
      2  -0.796295D+01 -0.206708D+02 -0.809523D+00 -0.278745D+02 -0.154600D+02
      3   0.295095D+01  0.976715D+01 -0.145700D+01  0.929204D+01  0.116170D+02
      4  -0.970002D+01  0.124380D+00 -0.308709D+01 -0.127122D+02 -0.212736D+02
      5  -0.327352D+01 -0.109774D+01 -0.352537D+01 -0.953063D+01 -0.437882D+01
      6  -0.188140D+02  0.364227D+01 -0.180006D+02 -0.210952D+02 -0.116682D+02
                61            62            63            64            65 
      1   0.139202D+02  0.888770D+01  0.107903D+02  0.228869D+01 -0.575738D+01
      2  -0.220758D+02 -0.196989D+02 -0.149722D+02 -0.119200D+01  0.576437D+01
      3   0.815559D+01  0.108112D+02  0.418190D+01 -0.109669D+01 -0.699141D-02
      4   0.205851D+01 -0.248607D+02  0.133446D+01  0.843602D+01  0.193323D+01
      5  -0.244793D+00 -0.399958D+01 -0.127455D+01  0.286356D+01 -0.304133D+01
      6   0.429054D+01 -0.174917D+02 -0.125706D+01 -0.699147D+01  0.866625D+01
                66            67            68            69            70 
      1  -0.127509D+01 -0.551445D+01 -0.117978D+02 -0.509786D+01 -0.237921D+01
      2   0.114164D+02  0.211869D+01  0.144484D+02  0.812905D+01  0.101228D+02
      3  -0.101413D+02  0.339576D+01 -0.265059D+01 -0.303118D+01 -0.774354D+01
      4  -0.280630D+01 -0.243824D+01  0.174841D+02  0.126855D+02 -0.309286D+01
      5  -0.376171D+01 -0.200517D+01  0.181671D+01  0.275307D+01 -0.250562D+01
      6   0.211023D-01  0.942699D+01  0.126725D+02  0.592295D+01 -0.143746D+01
                71            72            73            74            75 
      1  -0.217709D+01  0.125043D+01  0.189674D+02 -0.138841D+02  0.132797D+02
      2   0.152974D+01  0.684431D+01 -0.190212D+02  0.102662D+02 -0.122244D+02
      3   0.647353D+00 -0.809474D+01  0.538038D-01  0.361794D+01 -0.105533D+01
      4   0.629984D+01 -0.753264D+00 -0.496383D+01 -0.117081D+01 -0.924059D+00
      5   0.181797D+01 -0.553984D+01  0.122428D+02 -0.337691D+01  0.789399D+01
      6   0.299133D+01 -0.507340D+01 -0.775219D+01 -0.145334D+01 -0.169553D+01
                76            77            78            79            80 
      1  -0.580527D+01  0.307175D+01  0.171324D+01  0.559294D+01 -0.545447D+00
      2   0.459496D+01 -0.971155D+01  0.387678D+00 -0.591981D+01 -0.641926D+00
      3   0.121030D+01  0.663980D+01 -0.210092D+01  0.326873D+00  0.118737D+01
      4  -0.913166D+00  0.125102D+02  0.140968D+01 -0.818390D+00 -0.501917D+00
      5  -0.174640D+01  0.259708D+01 -0.163274D+01  0.576501D+01  0.563171D+00
      6  -0.181017D+00  0.487241D+01  0.315207D+01 -0.129571D+00  0.280902D+01
                81            82            83            84            85 
      1   0.119982D+02 -0.822875D+01 -0.161435D+01 -0.108564D+02 -0.316565D+00
      2   0.442191D+01  0.127076D+02  0.378434D+01  0.828887D+01 -0.125514D+01
      3  -0.164201D+02 -0.447882D+01 -0.216998D+01  0.256757D+01  0.157170D+01
      4   0.182596D+01 -0.129980D+02  0.722249D+01 -0.904369D+01  0.115520D+02
      5  -0.788464D+01 -0.279508D+01 -0.120660D+02  0.224649D+01 -0.115709D+02
      6   0.302906D+01 -0.427321D+01  0.571882D+01 -0.673329D+01  0.479234D+01
                86            87            88            89            90 
      1  -0.680353D+01 -0.559875D+01 -0.920809D+01 -0.569240D+01  0.639536D+01
      2   0.613616D+01 -0.476951D+01  0.487608D+01 -0.795309D+00  0.297209D+01
      3   0.667370D+00  0.103683D+02  0.433201D+01  0.648771D+01 -0.936745D+01
      4  -0.103945D+02  0.104020D+02 -0.310995D+01  0.616312D+01 -0.292205D+01
      5   0.506909D+01 -0.377349D+01  0.119539D+01 -0.119487D+01 -0.183612D+01
      6  -0.342193D+01  0.672207D+00 -0.442737D+01 -0.387256D+00  0.695535D+01
                91            92            93            94            95 
      1  -0.835288D+01 -0.125338D+01  0.137564D+02 -0.242857D+01 -0.134489D+01
      2   0.203817D+01  0.200392D+01 -0.181984D+02  0.764619D+01 -0.743485D-01
      3   0.631471D+01 -0.750546D+00  0.444200D+01 -0.521762D+01  0.141924D+01
      4   0.142541D+02 -0.880454D+01  0.936260D+01 -0.165600D+02  0.127256D+02
      5   0.316274D+01  0.138580D+02 -0.896670D+01  0.146181D+02 -0.134992D+02
      6   0.237108D+01 -0.157754D+02  0.980241D+01 -0.161338D+02  0.128685D+02
                96            97            98            99           100 
      1   0.654095D+01  0.161723D+02  0.766586D+01 -0.949689D+01  0.437535D+01
      2   0.763839D+01 -0.203113D+02  0.470631D+01  0.463272D+01 -0.450083D+01
      3  -0.141793D+02  0.413896D+01 -0.123722D+02  0.486417D+01  0.125479D+00
      4  -0.215364D+02  0.138060D+02 -0.252376D+02  0.117545D+02 -0.298600D+01
      5   0.191580D+01 -0.136873D+02  0.447496D+01 -0.151024D+01 -0.146432D+01
      6  -0.543623D+01  0.128263D+02 -0.568330D+01  0.244314D+01  0.466237D+01
               101           102           103           104           105 
      1  -0.493342D+01 -0.109374D+02 -0.222927D+01  0.183747D+02  0.359586D+01
      2   0.785795D+01  0.207736D+02  0.748519D+00 -0.275464D+02 -0.151150D+02
      3  -0.292452D+01 -0.983614D+01  0.148076D+01  0.917170D+01  0.115191D+02
      4  -0.985755D+01 -0.124778D+00 -0.316749D+01  0.127020D+02  0.213606D+02
      5  -0.340761D+01 -0.113247D+01 -0.364839D+01  0.957929D+01  0.445316D+01
      6   0.189571D+02 -0.349885D+01  0.181110D+02 -0.208523D+02 -0.117357D+02
               106           107           108           109           110 
      1  -0.139884D+02  0.861683D+01  0.108121D+02  0.229168D+01  0.578132D+01
      2   0.222027D+02 -0.193483D+02 -0.150448D+02 -0.123169D+01 -0.576539D+01
      3  -0.821427D+01  0.107314D+02  0.423272D+01 -0.105999D+01 -0.159313D-01
      4   0.177887D+01  0.250201D+02 -0.112567D+01 -0.841191D+01  0.201306D+01
      5  -0.266241D+00  0.412090D+01  0.130453D+01 -0.283695D+01 -0.300523D+01
      6  -0.411181D+01 -0.175913D+02 -0.133959D+01 -0.690960D+01 -0.875600D+01
               111           112           113           114           115 
      1   0.130793D+01  0.556869D+01 -0.115740D+02 -0.499697D+01  0.241291D+01
      2  -0.114515D+02 -0.216398D+01  0.141958D+02  0.794601D+01 -0.101483D+02
      3   0.101436D+02 -0.340471D+01 -0.262179D+01 -0.294904D+01  0.773542D+01
      4  -0.268536D+01 -0.237889D+01 -0.175536D+02 -0.127320D+02 -0.300292D+01
      5  -0.372627D+01 -0.197378D+01 -0.186816D+01 -0.279245D+01 -0.248358D+01
      6  -0.893029D-01 -0.949906D+01  0.125960D+02  0.594827D+01  0.138585D+01
               116           117           118           119           120 
      1  -0.213282D+01  0.124311D+01  0.323284D+02 -0.229007D+01  0.106393D+02
      2   0.142918D+01  0.689657D+01 -0.183629D+02  0.512208D+01 -0.744767D+01
      3   0.703633D+00 -0.813968D+01 -0.139655D+02 -0.283201D+01 -0.319168D+01
      4  -0.634749D+01  0.693895D+00  0.165835D+02  0.737676D+01  0.331070D+01
      5  -0.184734D+01  0.554395D+01  0.107918D+02 -0.173453D+01  0.950107D+01
      6   0.303199D+01 -0.501999D+01  0.515795D+01 -0.725265D+00  0.540063D+01
               121           122           123           124           125 
      1  -0.844781D+01  0.636975D+01 -0.427342D+01  0.173231D+02 -0.307385D+01
      2   0.749251D+01 -0.578069D+01  0.273473D+01 -0.128478D+02  0.461164D+01
      3   0.955299D+00 -0.589060D+00  0.153869D+01 -0.447526D+01 -0.153780D+01
      4   0.379108D+01 -0.241557D+00  0.214318D+00  0.752984D+01  0.219335D+01
      5  -0.335947D+01  0.250884D+01 -0.229427D+01  0.136690D+02  0.157122D+00
      6  -0.164290D+01  0.667321D+00  0.295604D+00  0.793567D+01  0.198312D+01
               126           127           128           129           130 
      1   0.952485D+01  0.146828D+02  0.711945D+01 -0.386251D+01  0.225186D+01
      2  -0.794440D+01  0.208012D+00  0.469934D+01 -0.958203D+00  0.112902D+02
      3  -0.158044D+01 -0.148909D+02 -0.118188D+02  0.482071D+01 -0.135421D+02
      4   0.580687D+01  0.298285D+02  0.242154D+02 -0.129188D+02  0.265443D+02
      5   0.125612D+02 -0.115649D+02 -0.961894D+01  0.101476D+02 -0.905062D+01
      6   0.790494D+01 -0.113407D+02 -0.972620D+01  0.845798D+01 -0.122278D+02
               131           132           133           134           135 
      1  -0.632994D+01  0.140436D+01 -0.234911D+01  0.153001D+01  0.281156D-01
      2   0.241983D+02 -0.765239D+01 -0.365485D+01 -0.851015D+01  0.253737D+01
      3  -0.178684D+02  0.624803D+01  0.600395D+01  0.698014D+01 -0.256548D+01
      4   0.335151D+02 -0.149762D+02 -0.204153D+02 -0.209479D+02  0.176159D+02
      5  -0.116580D+02  0.796302D+01  0.152696D+02  0.126605D+02 -0.149749D+02
      6  -0.173856D+02  0.127336D+02  0.150296D+02  0.172839D+02 -0.175926D+02
               136           137           138           139           140 
      1  -0.555740D+01  0.860485D+01 -0.381215D+01  0.507100D+01 -0.163033D+02
      2   0.841291D+01 -0.155278D+02  0.654006D+01 -0.835272D+01  0.270488D+02
      3  -0.285551D+01  0.692299D+01 -0.272790D+01  0.328173D+01 -0.107455D+02
      4  -0.147537D+02  0.856341D+01 -0.615730D+01  0.646983D+01 -0.487967D+01
      5   0.148298D+01 -0.442241D+00  0.145972D+01 -0.378826D+00  0.980636D+00
      6  -0.759596D+01  0.686281D+01 -0.755420D+01  0.459398D+01 -0.728953D+01
               141           142           143           144           145 
      1   0.463798D+01 -0.668052D+01  0.975965D+01 -0.880656D+01 -0.211570D+01
      2  -0.639190D+01  0.732642D+01 -0.137520D+02  0.975586D+01  0.857565D+01
      3   0.175392D+01 -0.645901D+00  0.399232D+01 -0.949301D+00 -0.645995D+01
      4   0.386876D+01 -0.869502D+01  0.610752D+01 -0.508310D+01  0.122527D+02
      5   0.429872D+00  0.174892D+01  0.518561D+00 -0.239018D+00  0.337140D+01
      6   0.830301D+01 -0.721230D+01  0.143295D+02 -0.154510D+02  0.573288D+01
               146           147           148           149           150 
      1  -0.254598D+01 -0.179066D+01 -0.421012D+01 -0.337052D+02 -0.116152D+02
      2   0.115333D+02  0.479453D+01  0.114558D+02  0.624608D+02  0.192137D+02
      3  -0.898730D+01 -0.300387D+01 -0.724566D+01 -0.287557D+02 -0.759842D+01
      4   0.196375D+02  0.673948D+01  0.134185D+02  0.268782D+02  0.972200D+01
      5   0.541517D+01  0.460513D+01  0.311506D+01  0.914909D+01  0.509977D+01
      6   0.809138D+01  0.457118D+01  0.732886D+01  0.272163D+02  0.170055D+02
               151           152           153           154           155 
      1  -0.329367D+01 -0.181263D+02 -0.126587D+02 -0.563944D+01 -0.865757D+01
      2   0.638350D+01  0.275764D+02  0.158681D+02  0.848742D+01  0.155856D+02
      3  -0.308983D+01 -0.945008D+01 -0.320936D+01 -0.284798D+01 -0.692804D+01
      4   0.702683D+01  0.161278D+02  0.924172D+01  0.146364D+02  0.855108D+01
      5   0.445217D+01  0.831352D+01  0.699752D+01 -0.143540D+01 -0.415574D+00
      6   0.613580D+01  0.265784D+02  0.200220D+02 -0.753157D+01 -0.686337D+01
               156           157           158           159           160 
      1   0.383765D+01 -0.510391D+01 -0.164717D+02  0.468727D+01  0.670853D+01
      2  -0.657233D+01  0.837266D+01  0.273273D+02 -0.647181D+01 -0.735740D+01
      3   0.273468D+01 -0.326875D+01 -0.108556D+02  0.178454D+01  0.648876D+00
      4  -0.608249D+01  0.648600D+01  0.480048D+01 -0.385061D+01 -0.859727D+01
      5   0.142640D+01 -0.358940D+00 -0.948882D+00 -0.465256D+00  0.171579D+01
      6   0.750029D+01 -0.459667D+01 -0.734937D+01  0.834938D+01  0.713362D+01
               161           162           163           164           165 
      1   0.985388D+01 -0.883549D+01 -0.204200D+01  0.252377D+01  0.179361D+01
      2  -0.138872D+02  0.982464D+01  0.855531D+01 -0.115863D+02 -0.483721D+01
      3   0.403337D+01 -0.989159D+00 -0.651331D+01  0.906252D+01  0.304359D+01
      4  -0.605455D+01  0.498656D+01 -0.124488D+02  0.197560D+02  0.684156D+01
      5  -0.574473D+00  0.300604D+00 -0.345434D+01  0.549868D+01  0.467311D+01
      6   0.143671D+02 -0.153983D+02  0.581599D+01 -0.820063D+01 -0.466630D+01
               166           167           168           169           170 
      1   0.422010D+01 -0.333487D+02 -0.115386D+02  0.331831D+01 -0.180053D+02
      2  -0.115281D+02  0.618939D+02  0.191087D+02 -0.644649D+01  0.274200D+02
      3   0.730800D+01 -0.285453D+02 -0.757014D+01  0.312817D+01 -0.941477D+01
      4   0.135231D+02 -0.270544D+02 -0.983785D+01  0.716257D+01 -0.163205D+02
      5   0.318127D+01 -0.923928D+01 -0.516613D+01  0.453487D+01 -0.843568D+01
      6  -0.742724D+01  0.271498D+02  0.170092D+02 -0.626778D+01  0.265880D+02
               171           172           173           174           175 
      1  -0.126189D+02  0.324232D+02  0.237819D+01 -0.106321D+02  0.855816D+01
      2   0.158005D+02 -0.184594D+02 -0.514505D+01  0.745991D+01 -0.753579D+01
      3  -0.318168D+01 -0.139638D+02  0.276685D+01  0.317219D+01 -0.102237D+01
      4  -0.940041D+01 -0.163963D+02  0.733213D+01  0.321670D+01  0.377385D+01
      5  -0.712283D+01 -0.107688D+02 -0.178822D+01  0.949497D+01 -0.340430D+01
      6   0.201045D+02  0.509033D+01  0.744686D+00 -0.535011D+01  0.165813D+01
               176           177           178           179           180 
      1   0.643573D+01 -0.431714D+01 -0.173413D+02 -0.314273D+01  0.955093D+01
      2  -0.585712D+01  0.275813D+01  0.128808D+02  0.465177D+01 -0.797958D+01
      3  -0.578613D+00  0.155901D+01  0.446050D+01 -0.150904D+01 -0.157135D+01
      4   0.358425D+00 -0.220890D+00  0.737646D+01 -0.217786D+01 -0.570502D+01
      5  -0.253353D+01  0.233960D+01  0.136682D+02 -0.863355D-01 -0.125520D+02
      6   0.656339D+00  0.269861D+00 -0.786370D+01  0.193915D+01  0.782669D+01
               181           182           183           184           185 
      1   0.149436D+02 -0.721618D+01  0.394614D+01 -0.236680D+01 -0.612165D+01
      2   0.661552D-01 -0.463869D+01  0.903780D+00 -0.112137D+02  0.239456D+02
      3  -0.150097D+02  0.118549D+02 -0.484992D+01  0.135805D+02 -0.178240D+02
      4  -0.299858D+02  0.242569D+02 -0.129652D+02  0.266261D+02 -0.334962D+02
      5   0.116625D+02 -0.965628D+01  0.101921D+02 -0.909710D+01  0.116471D+02
      6  -0.113751D+02  0.971699D+01 -0.845744D+01  0.122159D+02 -0.172580D+02
               186           187           188           189           190 
      1   0.130103D+01  0.248454D+01  0.137548D+01  0.153207D+00  0.205896D+02
      2  -0.753883D+01  0.354792D+01 -0.834127D+01  0.242257D+01 -0.168927D+02
      3   0.623780D+01 -0.603246D+01  0.696578D+01 -0.257578D+01 -0.369682D+01
      4   0.149591D+02 -0.204830D+02  0.209022D+02 -0.176053D+02  0.141366D+01
      5  -0.796605D+01  0.153451D+02 -0.126552D+02  0.150089D+02  0.159369D+02
      6   0.126644D+02 -0.150159D+02  0.171713D+02 -0.175063D+02  0.759647D+00
               191           192           193           194           195 
      1   0.533930D+01  0.801163D+01  0.817040D+01  0.560644D+01  0.395388D+01
      2  -0.703054D+01 -0.969668D+01 -0.907904D+01 -0.625051D+01 -0.639614D+01
      3   0.169124D+01  0.168506D+01  0.908639D+00  0.644072D+00  0.244226D+01
      4   0.656503D+01  0.158697D+01  0.130173D+01  0.748535D+01  0.616545D+00
      5   0.439399D+01  0.108452D+02  0.110948D+02  0.295339D+01  0.771153D+01
      6   0.128328D+01 -0.599173D+00  0.105983D+01  0.266763D+01  0.508224D+00
               196           197           198           199           200 
      1   0.344076D+01  0.128015D+01  0.210366D+01 -0.257389D+01 -0.241768D+01
      2  -0.691976D+01 -0.211732D+01 -0.810757D+01 -0.163454D+01  0.138777D+01
      3   0.347899D+01  0.837170D+00  0.600391D+01  0.420844D+01  0.102991D+01
      4   0.299754D+01  0.382307D+00  0.210210D+01  0.628757D+01 -0.285044D+01
      5   0.804667D+01  0.367487D+01  0.889843D+01 -0.244804D+01  0.215266D+01
      6   0.396652D+00  0.143514D+01 -0.652832D+00 -0.109305D-01 -0.329817D+01
               201           202           203           204           205 
      1   0.726229D+01 -0.452689D+00 -0.512392D+01  0.635454D+01  0.245503D+01
      2   0.112482D+01 -0.446616D+00  0.201288D+01 -0.919013D+00 -0.145273D+01
      3  -0.838711D+01  0.899304D+00  0.311104D+01 -0.543553D+01 -0.100230D+01
      4   0.368481D+00  0.143915D+01 -0.172670D+01  0.503608D+00 -0.319828D+01
      5  -0.221615D+00  0.306218D+00  0.105259D+01 -0.189459D+01  0.442856D+01
      6   0.590028D+01 -0.430834D+00 -0.598371D+01  0.886318D+01 -0.494378D+00
               206           207           208           209           210 
      1   0.558602D+01 -0.183941D+02 -0.252838D+00 -0.768583D+01 -0.456743D+01
      2  -0.249789D-01 -0.114756D+02 -0.178698D+00  0.968681D+01  0.201693D+01
      3  -0.556104D+01  0.298697D+02  0.431536D+00 -0.200098D+01  0.255049D+01
      4   0.313005D+01  0.536795D+00  0.176778D+02  0.779756D+01  0.839252D+01
      5  -0.233442D+01  0.113823D+02  0.913244D+01  0.577465D+01  0.574165D+01
      6   0.740551D+01 -0.176302D+02  0.957543D+01  0.112362D+02  0.102248D+02
               211           212           213           214           215 
      1  -0.210594D+01 -0.313174D+01 -0.185661D+01 -0.164105D+01 -0.143932D+01
      2   0.291700D+01  0.684593D+01  0.152728D+01 -0.743020D+00 -0.132616D+01
      3  -0.811060D+00 -0.371420D+01  0.329330D+00  0.238407D+01  0.276548D+01
      4   0.800196D+01  0.769741D+01  0.502900D+01  0.438775D+01  0.413093D+01
      5   0.292987D+01  0.323445D+01  0.230280D+01  0.466613D+01  0.224871D+01
      6   0.553002D+01  0.512997D+01  0.544607D+01  0.556302D+01  0.502446D+01
               216           217           218           219           220 
      1  -0.405091D+01 -0.513567D+00  0.331641D+01  0.243716D+01  0.285235D+00
      2  -0.188948D+01 -0.368926D+01 -0.413275D+01  0.631438D+01 -0.132656D+01
      3   0.594039D+01  0.420283D+01  0.816338D+00 -0.875155D+01  0.104132D+01
      4   0.554096D+01 -0.355158D+01  0.438497D+01  0.450214D+01  0.487043D+00
      5   0.371239D+01 -0.489612D+01  0.186960D+01  0.847980D+01  0.284352D+00
      6   0.844342D+01  0.440190D+01 -0.312015D+01 -0.711680D+01 -0.575173D-01
               221           222           223           224           225 
      1   0.289498D+01  0.165398D+01  0.183289D+01 -0.495707D+01 -0.120017D+02
      2  -0.605752D+01  0.234869D+01  0.357997D+01  0.291758D+01 -0.163928D+02
      3   0.316254D+01 -0.400267D+01 -0.541286D+01  0.203948D+01  0.283946D+02
      4   0.212134D+01  0.756629D+00  0.358062D+01 -0.203214D+01 -0.288622D+01
      5  -0.134213D+01  0.954015D+00  0.561211D+01 -0.122532D+01 -0.996018D+01
      6  -0.203856D+01  0.711943D+00 -0.325570D+01  0.650633D+01  0.189191D+02
               226           227           228           229           230 
      1  -0.940290D+00 -0.412651D+00 -0.131883D+01 -0.573128D+01 -0.116472D+02
      2   0.436412D+01 -0.238054D+01  0.172040D+01  0.142678D+01  0.211513D+02
      3  -0.342383D+01  0.279319D+01 -0.401569D+00  0.430449D+01 -0.950403D+01
      4  -0.323440D+01  0.529624D+01  0.145748D+00  0.858099D+01 -0.213342D+02
      5  -0.152798D+01 -0.309230D+00  0.182370D-01 -0.494634D+01  0.280696D+01
      6   0.218122D+00  0.462784D+00 -0.219263D+00  0.388434D+01 -0.123036D+02
               231           232           233           234           235 
      1   0.158765D+01 -0.536021D+01  0.219019D+01 -0.422370D+01 -0.265443D+01
      2  -0.246896D+00  0.362101D+01  0.906647D+00  0.232756D+01 -0.156444D+00
      3  -0.134075D+01  0.173920D+01 -0.309683D+01  0.189614D+01  0.281088D+01
      4   0.443366D+01  0.172711D+01 -0.221769D+01 -0.205318D+01  0.940579D+00
      5  -0.465022D+01 -0.125368D+01 -0.188210D+01  0.718245D-01  0.140253D+00
      6   0.549593D+01 -0.174477D-01  0.274455D+01 -0.200473D+01  0.127040D+01
               236           237           238           239           240 
      1   0.932324D+00  0.359822D+01  0.371845D+01 -0.351994D+01  0.105827D+01
      2  -0.174187D+01  0.107696D+01 -0.380688D+01  0.723355D+00 -0.329199D+01
      3   0.809547D+00 -0.467518D+01  0.884299D-01  0.279659D+01  0.223372D+01
      4  -0.555152D+00  0.165876D+00  0.826962D+00 -0.876277D+00  0.235906D+01
      5   0.121988D+01  0.187660D+01  0.180069D+01  0.154867D+01  0.173258D+01
      6  -0.794288D+00  0.184734D+01  0.917590D-01 -0.198599D+01  0.466158D+01
               241           242           243           244           245 
      1   0.396664D+01  0.393198D+01 -0.209261D+02 -0.186041D+00  0.764631D+01
      2  -0.606006D+01  0.914819D+00 -0.163035D+02 -0.245766D+00 -0.966446D+01
      3   0.209342D+01 -0.484680D+01  0.372295D+02  0.431808D+00  0.201815D+01
      4  -0.152916D+01  0.343315D+01 -0.267755D+01 -0.177401D+02  0.783065D+01
      5   0.687052D+01 -0.405296D+01  0.219689D+02 -0.919289D+01  0.579847D+01
      6  -0.152969D+01  0.541739D+01 -0.102224D+02  0.962063D+01 -0.112108D+02
               246           247           248           249           250 
      1   0.452654D+01  0.206584D+01 -0.304816D+01 -0.181097D+01  0.162812D+01
      2  -0.197063D+01 -0.289172D+01  0.674618D+01  0.148515D+01  0.770107D+00
      3  -0.255591D+01  0.825879D+00 -0.369802D+01  0.325819D+00 -0.239823D+01
      4   0.844921D+01  0.798071D+01 -0.768429D+01 -0.501733D+01  0.441652D+01
      5   0.579538D+01  0.292834D+01 -0.322369D+01 -0.229969D+01  0.469808D+01
      6  -0.102392D+02 -0.550944D+01  0.506231D+01  0.541377D+01 -0.557364D+01
               251           252           253           254           255 
      1  -0.141514D+01 -0.402635D+01 -0.525655D+00 -0.336745D+01 -0.247956D+01
      2  -0.135122D+01 -0.192143D+01 -0.368761D+01  0.417358D+01 -0.629980D+01
      3   0.276636D+01  0.594777D+01  0.421327D+01 -0.806131D+00  0.877936D+01
      4  -0.412049D+01 -0.555401D+01  0.356282D+01  0.439114D+01  0.453719D+01
      5  -0.225224D+01 -0.374619D+01  0.489319D+01  0.188217D+01  0.847982D+01
      6   0.501666D+01  0.845513D+01  0.442600D+01  0.316103D+01  0.717946D+01
               256           257           258           259           260 
      1  -0.305585D+00  0.289608D+01  0.163578D+01 -0.184411D+01 -0.499166D+01
      2   0.134326D+01 -0.604478D+01  0.230846D+01 -0.357799D+01  0.291053D+01
      3  -0.103768D+01  0.314870D+01 -0.394423D+01  0.542210D+01  0.208113D+01
      4   0.509920D+00 -0.205902D+01 -0.737662D+00  0.359472D+01  0.202605D+01
      5   0.297731D+00  0.135979D+01 -0.921295D+00  0.560703D+01  0.123485D+01
      6   0.869762D-01 -0.199959D+01  0.751503D+00  0.327339D+01  0.654870D+01
               261           262           263           264           265 
      1  -0.120216D+02  0.207252D+02 -0.536628D+01 -0.802436D+01 -0.817145D+01
      2  -0.163397D+02 -0.169701D+02  0.704915D+01  0.968700D+01  0.905350D+01
      3   0.283613D+02 -0.375506D+01 -0.168287D+01 -0.166264D+01 -0.882053D+00
      4   0.293078D+01 -0.134302D+01  0.656784D+01  0.152907D+01  0.128289D+01
      5   0.991880D+01 -0.159540D+02  0.434995D+01  0.108136D+02  0.110376D+02
      6   0.189959D+02  0.726534D+00 -0.128058D+01  0.626615D+00 -0.103663D+01
               266           267           268           269           270 
      1   0.562831D+01  0.393043D+01 -0.344082D+01  0.126700D+01  0.211622D+01
      2  -0.623140D+01 -0.633504D+01  0.689484D+01 -0.207493D+01 -0.806207D+01
      3   0.603094D+00  0.240460D+01 -0.345402D+01  0.807931D+00  0.594585D+01
      4  -0.743664D+01 -0.566361D+00  0.297705D+01 -0.343581D+00 -0.206953D+01
      5  -0.289353D+01 -0.763995D+01  0.800574D+01 -0.364372D+01 -0.882059D+01
      6   0.264747D+01  0.475151D+00 -0.381646D+00  0.141180D+01 -0.667111D+00
               271           272           273           274           275 
      1  -0.252571D+01  0.241277D+01 -0.725697D+01  0.435069D+00 -0.509039D+01
      2  -0.168449D+01 -0.141243D+01 -0.112615D+01  0.443817D+00  0.199071D+01
      3   0.421020D+01 -0.100034D+01  0.838312D+01 -0.878886D+00  0.309969D+01
      4  -0.627391D+01 -0.286183D+01  0.354889D+00  0.140463D+01  0.169565D+01
      5   0.242623D+01  0.215714D+01 -0.207127D+00  0.322738D+00 -0.102950D+01
      6   0.297150D-03  0.329526D+01 -0.588907D+01  0.437223D+00 -0.593285D+01
               276           277           278           279           280 
      1   0.629171D+01 -0.243565D+01  0.556063D+01 -0.183902D+02  0.660947D+01
      2  -0.919689D+00  0.144844D+01 -0.396003D-01 -0.115574D+02 -0.345211D+01
      3  -0.537202D+01  0.987210D+00 -0.552103D+01  0.299476D+02 -0.315736D+01
      4  -0.490055D+00 -0.321060D+01 -0.314633D+01 -0.551395D+00  0.470195D+01
      5   0.186208D+01  0.444246D+01  0.233275D+01 -0.114081D+02  0.815896D+01
      6   0.880655D+01  0.514293D+00  0.738255D+01 -0.176355D+02  0.219512D+01
               281           282           283           284           285 
      1   0.368334D+01  0.683333D+01  0.752934D+01 -0.553927D+00 -0.200064D+01
      2  -0.138413D+01 -0.373356D+01 -0.379870D+01  0.360354D+01 -0.224623D+00
      3  -0.229920D+01 -0.309977D+01 -0.373064D+01 -0.304962D+01  0.222526D+01
      4   0.521470D+01  0.195354D+01  0.117581D+02  0.246620D+02  0.126652D+02
      5   0.254107D+01  0.513820D+01  0.637976D+01  0.134395D+02  0.145463D+02
      6   0.775014D+00  0.729681D+00  0.440855D+01  0.120373D+02  0.830828D+01
               286           287           288           289           290 
      1   0.799930D+01 -0.189092D+01 -0.719387D+00  0.679809D+02 -0.171237D+02
      2  -0.608488D+01 -0.106625D+01 -0.384631D+01 -0.375787D+02  0.839969D+01
      3  -0.191443D+01  0.295717D+01  0.456570D+01 -0.304022D+02  0.872399D+01
      4   0.358764D+01  0.888418D+01  0.900994D+01 -0.219356D+02  0.131957D+02
      5   0.877726D+01  0.943913D+01  0.136838D+02  0.283408D+02 -0.753894D+01
      6   0.239047D+01  0.750482D+01  0.696796D+01 -0.481453D+01  0.298958D+01
               291           292           293           294           295 
      1   0.179318D+02 -0.273220D+02  0.135123D+02 -0.757182D+01  0.157203D+02
      2  -0.113966D+02  0.137651D+02 -0.583526D+01  0.496182D+01 -0.122898D+02
      3  -0.653516D+01  0.135569D+02 -0.767708D+01  0.260999D+01 -0.343051D+01
      4  -0.645015D+01  0.210235D+02 -0.136736D+02  0.912182D+01 -0.605873D+01
      5   0.171125D+02 -0.129396D+02  0.101005D+02 -0.764877D+01  0.218406D+02
      6  -0.189330D+01  0.573600D+01 -0.349190D+01  0.431026D+01 -0.326076D+01
               296           297           298           299           300 
      1  -0.393595D+01  0.122685D+02  0.677198D+02  0.172706D+02 -0.178034D+02
      2   0.358688D+01 -0.990678D+01 -0.373215D+02 -0.842838D+01  0.112784D+02
      3   0.349071D+00 -0.236175D+01 -0.303982D+02 -0.884221D+01  0.652496D+01
      4   0.587773D+01 -0.577768D+01  0.222571D+02  0.133585D+02 -0.650677D+01
      5  -0.621690D+01  0.134257D+02 -0.281377D+02 -0.757096D+01  0.170038D+02
      6   0.375572D+01 -0.284141D+01 -0.487000D+01 -0.301579D+01  0.193055D+01
               301           302           303           304           305 
      1   0.274596D+02  0.136252D+02 -0.755920D+01 -0.155987D+02 -0.393181D+01
      2  -0.137544D+02 -0.582108D+01  0.492301D+01  0.121670D+02  0.357226D+01
      3  -0.137052D+02 -0.780412D+01  0.263619D+01  0.343172D+01  0.359551D+00
      4   0.212652D+02  0.139159D+02 -0.917689D+01 -0.611933D+01 -0.591507D+01
      5  -0.129535D+02 -0.101430D+02  0.767670D+01  0.217309D+02  0.627040D+01
      6  -0.577668D+01 -0.355398D+01  0.432940D+01  0.332035D+01  0.378233D+01
               306           307           308           309           310 
      1   0.121967D+02  0.677423D+01 -0.371262D+01 -0.685068D+01 -0.762588D+01
      2  -0.981546D+01 -0.354730D+01  0.140635D+01  0.375634D+01  0.386781D+01
      3  -0.238129D+01 -0.322693D+01  0.230627D+01  0.309434D+01  0.375807D+01
      4   0.585285D+01 -0.476419D+01  0.531365D+01  0.198417D+01  0.118619D+02
      5  -0.133210D+02 -0.822837D+01  0.258623D+01  0.521124D+01  0.645442D+01
      6  -0.287960D+01  0.218881D+01 -0.817155D+00 -0.754087D+00 -0.444193D+01
               311           312           313           314           315 
      1  -0.330124D+00 -0.187661D+01 -0.803196D+01 -0.181560D+01 -0.620097D+00
      2   0.341165D+01 -0.319603D+00  0.612000D+01 -0.112256D+01 -0.391216D+01
      3  -0.308153D+01  0.219621D+01  0.191196D+01  0.293816D+01  0.453225D+01
      4  -0.246554D+02 -0.126722D+02  0.359411D+01 -0.888464D+01 -0.900956D+01
      5  -0.134628D+02 -0.145698D+02  0.883956D+01 -0.944617D+01 -0.137114D+02
      6   0.119450D+02  0.823369D+01 -0.240397D+01  0.745226D+01  0.690500D+01
               316           317           318           319           320 
      1  -0.261264D+01 -0.936793D+00 -0.358317D+01 -0.373568D+01 -0.353251D+01
      2  -0.191423D+00  0.173314D+01 -0.105524D+01  0.382818D+01  0.740993D+00
      3   0.280406D+01 -0.796349D+00  0.463842D+01 -0.925007D-01  0.279152D+01
      4  -0.950794D+00 -0.570964D+00  0.166175D+00  0.792056D+00  0.846842D+00
      5  -0.167192D+00  0.122025D+01  0.190719D+01  0.182227D+01 -0.153141D+01
      6   0.127729D+01  0.799154D+00 -0.184070D+01 -0.754375D-01 -0.196237D+01
               321           322           323           324           325 
      1   0.102307D+01 -0.395456D+01  0.389647D+01 -0.209141D+02 -0.100570D+01
      2  -0.333174D+01  0.606346D+01  0.900956D+00 -0.163278D+02  0.439286D+01
      3   0.230867D+01 -0.210890D+01 -0.479743D+01  0.372419D+02 -0.338716D+01
      4  -0.234579D+01 -0.154978D+01 -0.342830D+01  0.264063D+01  0.315261D+01
      5  -0.178784D+01  0.687921D+01  0.403515D+01 -0.219978D+02  0.154604D+01
      6   0.463415D+01  0.153772D+01  0.541199D+01 -0.102285D+02  0.236086D+00
               326           327           328           329           330 
      1   0.418063D+00  0.131101D+01  0.572214D+01 -0.118006D+02  0.164722D+01
      2   0.234224D+01 -0.171966D+01 -0.143970D+01  0.212894D+02 -0.313290D+00
      3  -0.276030D+01  0.408649D+00 -0.428245D+01 -0.948882D+01 -0.133394D+01
      4   0.520436D+01  0.168832D+00  0.854133D+01  0.212822D+02 -0.446203D+01
      5  -0.297153D+00  0.586424D-02 -0.493343D+01 -0.282275D+01  0.464385D+01
      6  -0.415135D+00  0.196811D+00 -0.386920D+01 -0.123862D+02  0.554337D+01
               331           332           333 
      1   0.533618D+01  0.221177D+01 -0.424390D+01
      2  -0.361058D+01  0.881143D+00  0.233183D+01
      3  -0.172560D+01 -0.309292D+01  0.191207D+01
      4   0.174275D+01  0.219294D+01  0.203383D+01
      5  -0.124520D+01  0.187108D+01 -0.894063D-01
      6   0.489233D-02  0.277078D+01 -0.202379D+01
 Leave Link  716 at Fri Jul 23 00:49:04 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158605D+03 -0.963391D-03 -0.181168D-02
      2  -0.963391D-03  0.157093D+03  0.448344D-01
      3  -0.181168D-02  0.448344D-01  0.124089D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.106359D+01 -0.428250D-01  0.253803D-02
      2  -0.242556D-01  0.374563D+01 -0.206705D+01
      3  -0.185354D-01 -0.192289D+01 -0.423882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.922565D+02 -0.540993D+00  0.159403D-01
      2   0.987864D+02  0.572668D+00  0.146131D-01
      3  -0.652987D+01 -0.316759D-01 -0.305534D-01
      4  -0.561982D+00  0.101539D+03 -0.505133D+01
      5  -0.656489D-01  0.170304D+01 -0.950527D+01
      6  -0.101987D+02 -0.741636D-01 -0.547395D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.491297D+01 -0.419290D+01  0.358802D+01 -0.605953D+01  0.139639D+01
      2  -0.419290D+01  0.812120D+00 -0.550434D+00  0.139639D+01  0.294819D+01
      3   0.358802D+01 -0.550434D+00  0.881575D+00 -0.137941D+01  0.299149D+01
                 6             7             8             9            10 
      1  -0.137941D+01  0.232798D+01 -0.801593D+00  0.114386D+01  0.485762D+01
      2   0.299149D+01 -0.801593D+00  0.225094D+01  0.799488D+00  0.420009D+01
      3   0.594131D+00  0.114386D+01  0.799488D+00 -0.540627D+00 -0.357557D+01
                11            12            13            14            15 
      1   0.420009D+01 -0.357557D+01  0.607792D+01  0.146367D+01 -0.137198D+01
      2   0.868318D+00 -0.541166D+00  0.146367D+01 -0.293197D+01 -0.299702D+01
      3  -0.541166D+00  0.867541D+00 -0.137198D+01 -0.299702D+01 -0.590257D+00
                16            17            18            19            20 
      1  -0.231416D+01 -0.787583D+00  0.113590D+01 -0.952843D+01 -0.490035D+01
      2  -0.787583D+00 -0.225370D+01 -0.794784D+00 -0.490035D+01 -0.146224D+01
      3   0.113590D+01 -0.794784D+00  0.542509D+00  0.530897D+01  0.149815D+01
                21            22            23            24            25 
      1   0.530897D+01 -0.174985D+01 -0.666487D+00  0.272879D+00  0.339821D+01
      2   0.149815D+01 -0.666487D+00  0.175070D+01  0.139223D+01  0.128641D+01
      3  -0.220793D+01  0.272879D+00  0.139223D+01 -0.730773D+00 -0.211032D+01
                26            27            28            29            30 
      1   0.128641D+01 -0.211032D+01  0.189790D+01  0.120404D-01  0.394616D-02
      2   0.185802D+01 -0.101874D+01  0.120404D-01 -0.218971D+01 -0.167700D+01
      3  -0.101874D+01 -0.181139D+01  0.394616D-02 -0.167700D+01  0.242022D+00
                31            32            33            34            35 
      1   0.165779D-01 -0.215216D+01  0.201157D+01  0.888108D-02 -0.799015D-01
      2  -0.215216D+01 -0.789702D-02  0.177075D-02 -0.799015D-01  0.160188D-01
      3   0.201157D+01  0.177075D-02  0.383286D-02  0.146893D+00  0.398980D-02
                36            37            38            39            40 
      1   0.146893D+00  0.531649D+01  0.425869D+01 -0.201941D+01  0.635786D+01
      2   0.398980D-02  0.425869D+01  0.153977D+01 -0.320808D+01  0.364833D+01
      3   0.283230D-02 -0.201941D+01 -0.320808D+01  0.192658D+01 -0.393763D+01
                41            42            43            44            45 
      1   0.364833D+01 -0.393763D+01 -0.163849D+01 -0.208935D+01  0.253723D+01
      2   0.341108D+01 -0.268642D+01 -0.208935D+01 -0.140891D+01 -0.383412D-01
      3  -0.268642D+01  0.603853D+00  0.253723D+01 -0.383412D-01  0.744321D+00
                46            47            48            49            50 
      1  -0.307822D+01 -0.115768D+01 -0.269572D+00 -0.245583D+01 -0.262755D+01
      2  -0.115768D+01 -0.878047D+00  0.338049D+01 -0.262755D+01 -0.168611D+01
      3  -0.269572D+00  0.338049D+01 -0.190808D+01  0.342444D+01  0.274837D+01
                51            52            53            54            55 
      1   0.342444D+01  0.212418D+00  0.465111D+01 -0.297560D+01  0.616799D+00
      2   0.274837D+01  0.465111D+01  0.328594D+01 -0.899525D+00 -0.105704D+01
      3  -0.239018D+00 -0.297560D+01 -0.899525D+00  0.345943D+00  0.105208D+01
                56            57            58            59            60 
      1  -0.105704D+01  0.105208D+01 -0.233671D+00 -0.389054D+00 -0.292840D+01
      2  -0.235307D+01 -0.294725D+01 -0.389054D+00 -0.568772D+01 -0.345966D+01
      3  -0.294725D+01  0.881459D+00 -0.292840D+01 -0.345966D+01 -0.150389D+01
                61            62            63            64            65 
      1   0.164584D+01 -0.356461D+01  0.838594D+00  0.147882D+01  0.287028D+00
      2  -0.356461D+01 -0.505271D+01 -0.273449D+01  0.287028D+00  0.370455D+01
      3   0.838594D+00 -0.273449D+01 -0.202106D+00 -0.742292D+00  0.233032D+01
                66            67            68            69            70 
      1  -0.742292D+00 -0.435613D+00  0.912226D+00  0.165221D+01 -0.477687D+00
      2   0.233032D+01  0.912226D+00  0.117743D+02  0.505857D+01  0.100892D+01
      3  -0.536470D+00  0.165221D+01  0.505857D+01  0.167625D+01 -0.130652D+01
                71            72            73            74            75 
      1   0.100892D+01 -0.130652D+01 -0.955045D+01  0.487375D+01 -0.530998D+01
      2   0.328876D+01  0.200492D+01  0.487375D+01 -0.141680D+01  0.149062D+01
      3   0.200492D+01 -0.795903D+00 -0.530998D+01  0.149062D+01 -0.222122D+01
                76            77            78            79            80 
      1   0.171412D+01 -0.630590D+00  0.258862D+00 -0.340504D+01  0.128830D+01
      2  -0.630590D+00 -0.175928D+01 -0.139252D+01  0.128830D+01 -0.185987D+01
      3   0.258862D+00 -0.139252D+01  0.710929D+00 -0.212308D+01  0.100235D+01
                81            82            83            84            85 
      1  -0.212308D+01  0.535600D+01 -0.425157D+01  0.203293D+01 -0.635842D+01
      2   0.100235D+01 -0.425157D+01  0.153115D+01 -0.322153D+01  0.363006D+01
      3   0.181242D+01  0.203293D+01 -0.322153D+01  0.192059D+01 -0.395183D+01
                86            87            88            89            90 
      1   0.363006D+01 -0.395183D+01  0.163720D+01 -0.209357D+01  0.252923D+01
      2  -0.339424D+01  0.265775D+01 -0.209357D+01  0.138807D+01  0.467629D-01
      3   0.265775D+01 -0.598331D+00  0.252923D+01  0.467629D-01 -0.734137D+00
                91            92            93            94            95 
      1  -0.309741D+01  0.115288D+01  0.241852D+00  0.245958D+01 -0.263183D+01
      2   0.115288D+01 -0.891708D+00  0.340067D+01 -0.263183D+01  0.167890D+01
      3   0.241852D+00  0.340067D+01 -0.189763D+01  0.344249D+01 -0.272145D+01
                96            97            98            99           100 
      1   0.344249D+01 -0.245267D+00  0.466713D+01 -0.296491D+01  0.605465D+00
      2  -0.272145D+01  0.466713D+01 -0.324727D+01  0.881498D+00  0.107751D+01
      3   0.225678D+00 -0.296491D+01  0.881498D+00 -0.351575D+00 -0.102188D+01
               101           102           103           104           105 
      1   0.107751D+01 -0.102188D+01  0.240827D+00 -0.389452D+00 -0.294876D+01
      2  -0.235874D+01 -0.297206D+01 -0.389452D+00  0.563989D+01  0.342467D+01
      3  -0.297206D+01  0.860936D+00 -0.294876D+01  0.342467D+01  0.151645D+01
               106           107           108           109           110 
      1  -0.161127D+01 -0.359565D+01  0.812089D+00  0.148163D+01 -0.298738D+00
      2  -0.359565D+01  0.502199D+01  0.275317D+01 -0.298738D+00  0.374084D+01
      3   0.812089D+00  0.275317D+01  0.214028D+00  0.721570D+00  0.235266D+01
               111           112           113           114           115 
      1   0.721570D+00  0.434883D+00  0.951136D+00  0.167263D+01  0.467684D+00
      2   0.235266D+01  0.951136D+00 -0.117366D+02 -0.503965D+01  0.102413D+01
      3  -0.524534D+00  0.167263D+01 -0.503965D+01 -0.168524D+01 -0.129340D+01
               116           117           118           119           120 
      1   0.102413D+01 -0.129340D+01  0.513051D+01  0.224317D+00  0.154557D+01
      2  -0.329854D+01 -0.202404D+01  0.224317D+00  0.128976D+01 -0.265501D+00
      3  -0.202404D+01  0.794028D+00  0.154557D+01 -0.265501D+00  0.144433D+01
               121           122           123           124           125 
      1  -0.786304D+00  0.875620D+00 -0.563425D+00  0.269756D+01 -0.481356D+00
      2   0.875620D+00 -0.851349D+00  0.373735D+00 -0.481356D+00  0.854333D+00
      3  -0.563425D+00  0.373735D+00 -0.435659D+00  0.204153D+01  0.125845D-01
               126           127           128           129           130 
      1   0.204153D+01  0.458185D+01  0.302353D+01 -0.160259D+01  0.311363D+01
      2   0.125845D-01  0.302353D+01  0.270939D+01 -0.147875D+01  0.336384D+01
      3   0.211389D+01 -0.160259D+01 -0.147875D+01  0.143850D+01 -0.156022D+01
               131           132           133           134           135 
      1   0.336384D+01 -0.156022D+01 -0.287929D+01 -0.300632D+01  0.259347D+01
      2   0.564084D+01 -0.209348D+01 -0.300632D+01 -0.326873D+01  0.252979D+01
      3  -0.209348D+01  0.160743D+01  0.259347D+01  0.252979D+01 -0.276295D+01
               136           137           138           139           140 
      1  -0.248731D+01  0.110828D+01 -0.107296D+01  0.935397D+00 -0.112746D+01
      2   0.110828D+01 -0.223138D+01  0.899501D+00 -0.112746D+01  0.362548D+01
      3  -0.107296D+01  0.899501D+00 -0.116682D+01  0.561449D+00 -0.893715D+00
               141           142           143           144           145 
      1   0.561449D+00 -0.176662D+01  0.104079D+01 -0.105073D+01  0.150464D+01
      2  -0.893715D+00  0.104079D+01 -0.175519D+01  0.177104D+01  0.207144D+01
      3   0.992413D+00 -0.105073D+01  0.177104D+01 -0.220355D+01  0.580984D+00
               146           147           148           149           150 
      1   0.207144D+01  0.580984D+00  0.155690D+01  0.206048D+01  0.881474D+00
      2   0.244830D+01  0.963093D+00  0.206048D+01  0.955270D+01  0.294407D+01
      3   0.963093D+00  0.616093D+00  0.881474D+00  0.294407D+01  0.195574D+01
               151           152           153           154           155 
      1   0.502952D+00  0.162083D+01  0.823384D+00 -0.247102D+01 -0.111131D+01
      2   0.162083D+01  0.550552D+01  0.334624D+01 -0.111131D+01 -0.223247D+01
      3   0.823384D+00  0.334624D+01  0.252313D+01  0.106277D+01  0.900845D+00
               156           157           158           159           160 
      1   0.106277D+01 -0.941549D+00 -0.112528D+01  0.562532D+00  0.175356D+01
      2   0.900845D+00 -0.112528D+01 -0.365856D+01  0.901570D+00  0.104216D+01
      3  -0.115888D+01  0.562532D+00  0.901570D+00 -0.999878D+00 -0.103903D+01
               161           162           163           164           165 
      1   0.104216D+01 -0.103903D+01  0.153047D+01 -0.208545D+01 -0.593486D+00
      2   0.176980D+01 -0.177656D+01 -0.208545D+01  0.247424D+01  0.978404D+00
      3  -0.177656D+01  0.219525D+01 -0.593486D+00  0.978404D+00  0.630315D+00
               166           167           168           169           170 
      1  -0.156634D+01  0.207889D+01  0.893228D+00 -0.520716D+00  0.164514D+01
      2   0.207889D+01 -0.949203D+01 -0.293842D+01  0.164514D+01 -0.549962D+01
      3   0.893228D+00 -0.293842D+01 -0.195786D+01  0.842611D+00 -0.335160D+01
               171           172           173           174           175 
      1   0.842611D+00  0.512937D+01 -0.206675D+00 -0.153898D+01  0.805226D+00
      2  -0.335160D+01 -0.206675D+00  0.128730D+01 -0.273224D+00  0.876784D+00
      3  -0.253808D+01 -0.153898D+01 -0.273224D+00  0.144004D+01 -0.570037D+00
               176           177           178           179           180 
      1   0.876784D+00 -0.570037D+00 -0.268626D+01 -0.493336D+00  0.203622D+01
      2   0.870889D+00 -0.377128D+00 -0.493336D+00 -0.858292D+00 -0.111570D-02
      3  -0.377128D+00  0.443585D+00  0.203622D+01 -0.111570D-02 -0.210721D+01
               181           182           183           184           185 
      1   0.461906D+01 -0.303208D+01  0.161278D+01 -0.312474D+01  0.336772D+01
      2  -0.303208D+01  0.271425D+01 -0.148166D+01  0.336772D+01 -0.561464D+01
      3   0.161278D+01 -0.148166D+01  0.144228D+01 -0.156257D+01  0.208115D+01
               186           187           188           189           190 
      1  -0.156257D+01  0.289675D+01 -0.300699D+01  0.259865D+01  0.467076D+01
      2   0.208115D+01 -0.300699D+01  0.324506D+01 -0.251853D+01  0.949369D+00
      3  -0.160088D+01  0.259865D+01 -0.251853D+01  0.275759D+01  0.193788D+01
               191           192           193           194           195 
      1   0.949369D+00  0.193788D+01  0.273732D+01  0.136238D+00  0.194950D+01
      2   0.188682D+01  0.779189D+00  0.136238D+00  0.210116D+01 -0.410104D-01
      3   0.779189D+00  0.159508D+01  0.194950D+01 -0.410104D-01  0.146538D+01
               196           197           198           199           200 
      1   0.106020D+01  0.104456D+01  0.101118D+01 -0.166100D+01  0.135675D+01
      2   0.104456D+01  0.165545D+00  0.606606D+00  0.135675D+01 -0.102318D+01
      3   0.101118D+01  0.606606D+00  0.181753D+01 -0.129146D+00  0.105371D+01
               201           202           203           204           205 
      1  -0.129146D+00 -0.496535D-01 -0.236046D-01  0.314303D+00  0.130777D+01
      2   0.105371D+01 -0.236046D-01 -0.125133D+01  0.953403D+00 -0.305646D+00
      3  -0.171757D+01  0.314303D+00  0.953403D+00 -0.140222D+01  0.202473D+00
               206           207           208           209           210 
      1  -0.305646D+00  0.202473D+00 -0.366299D+01 -0.111035D+01 -0.166961D+01
      2   0.142765D+01 -0.141704D+01 -0.111035D+01 -0.385457D+01 -0.206651D+01
      3  -0.141704D+01  0.599237D+01 -0.166961D+01 -0.206651D+01 -0.197662D+01
               211           212           213           214           215 
      1  -0.172932D+01 -0.134182D+01 -0.988042D+00 -0.132861D+01 -0.866687D+00
      2  -0.134182D+01 -0.147781D+01 -0.285662D+00 -0.866687D+00  0.413101D-01
      3  -0.988042D+00 -0.285662D+00 -0.745648D+00 -0.100823D+01 -0.655054D+00
               216           217           218           219           220 
      1  -0.100823D+01  0.885410D+00 -0.685926D+00 -0.130270D+01 -0.493933D+00
      2  -0.655054D+00 -0.685926D+00  0.165238D+01  0.499268D+00 -0.994111D-01
      3  -0.186673D+01 -0.130270D+01  0.499268D+00  0.207914D+01 -0.241177D+00
               221           222           223           224           225 
      1  -0.994111D-01 -0.241177D+00 -0.115801D+01  0.226722D+00  0.116931D+01
      2   0.214059D+01  0.375260D+00  0.226722D+00 -0.160770D+01 -0.923196D+00
      3   0.375260D+00  0.654527D+00  0.116931D+01 -0.923196D+00 -0.582282D+01
               226           227           228           229           230 
      1   0.468922D+00  0.419016D+00  0.826881D+00  0.274148D+01 -0.124847D+01
      2   0.419016D+00 -0.109246D+01 -0.141414D+00 -0.124847D+01  0.600877D+01
      3   0.826881D+00 -0.141414D+00  0.187387D+00  0.965314D+00 -0.985059D+00
               231           232           233           234           235 
      1   0.965314D+00  0.181677D+01 -0.434482D+00  0.560878D+00  0.857442D+00
      2  -0.985059D+00 -0.434482D+00  0.267337D-01  0.482774D+00 -0.763160D+00
      3   0.132230D+01  0.560878D+00  0.482774D+00 -0.256660D+00  0.412894D-01
               236           237           238           239           240 
      1  -0.763160D+00  0.412894D-01 -0.127686D+01  0.996470D-01 -0.442906D+00
      2  -0.945561D-01 -0.388341D+00  0.996470D-01  0.746537D+00 -0.573111D+00
      3  -0.388341D+00  0.719785D+00 -0.442906D+00 -0.573111D+00 -0.363565D+00
               241           242           243           244           245 
      1  -0.201943D+01  0.287711D+00 -0.101921D+01 -0.367381D+01  0.111808D+01
      2   0.287711D+00 -0.106963D+01  0.123613D+01  0.111808D+01 -0.385441D+01
      3  -0.101921D+01  0.123613D+01 -0.744544D+01  0.168256D+01 -0.206286D+01
               246           247           248           249           250 
      1   0.168256D+01  0.172577D+01 -0.133734D+01 -0.983687D+00  0.133430D+01
      2  -0.206286D+01 -0.133734D+01  0.145276D+01  0.275308D+00 -0.861995D+00
      3  -0.198134D+01 -0.983687D+00  0.275308D+00  0.740423D+00 -0.101175D+01
               251           252           253           254           255 
      1  -0.861995D+00 -0.101175D+01  0.883423D+00  0.685494D+00  0.130578D+01
      2  -0.440416D-01  0.655508D+00  0.685494D+00  0.166827D+01  0.507847D+00
      3   0.655508D+00  0.187098D+01  0.130578D+01  0.507847D+00  0.208770D+01
               256           257           258           259           260 
      1   0.498826D+00 -0.865590D-01 -0.235042D+00  0.115739D+01  0.227219D+00
      2  -0.865590D-01 -0.213335D+01 -0.373030D+00  0.227219D+00  0.161233D+01
      3  -0.235042D+00 -0.373030D+00 -0.641069D+00  0.117041D+01  0.933921D+00
               261           262           263           264           265 
      1   0.117041D+01  0.469542D+01 -0.946340D+00 -0.193966D+01 -0.272643D+01
      2   0.933921D+00 -0.946340D+00  0.189422D+01  0.770028D+00  0.136378D+00
      3   0.582309D+01 -0.193966D+01  0.770028D+00  0.159171D+01  0.193785D+01
               266           267           268           269           270 
      1   0.136378D+00  0.193785D+01 -0.105558D+01  0.104250D+01  0.100311D+01
      2  -0.209647D+01  0.539802D-01  0.104250D+01 -0.151973D+00 -0.602112D+00
      3   0.539802D-01 -0.145278D+01  0.100311D+01 -0.602112D+00 -0.180189D+01
               271           272           273           274           275 
      1  -0.164769D+01 -0.136008D+01  0.125950D+00  0.396267D-01 -0.307815D-01
      2  -0.136008D+01 -0.103024D+01  0.105171D+01 -0.307815D-01  0.124002D+01
      3   0.125950D+00  0.105171D+01 -0.171564D+01  0.314973D+00 -0.943659D+00
               276           277           278           279           280 
      1   0.314973D+00 -0.131045D+01 -0.310865D+00  0.207329D+00 -0.109726D+01
      2  -0.943659D+00 -0.310865D+00 -0.143011D+01  0.141168D+01 -0.729823D+00
      3   0.138740D+01  0.207329D+00  0.141168D+01 -0.600570D+01 -0.105540D+01
               281           282           283           284           285 
      1  -0.729823D+00 -0.105540D+01 -0.155186D+01 -0.132438D+01 -0.581463D+00
      2  -0.392851D+00 -0.186255D+00 -0.132438D+01 -0.420617D+01 -0.211606D+01
      3  -0.186255D+00 -0.457578D+00 -0.581463D+00 -0.211606D+01 -0.227622D+01
               286           287           288           289           290 
      1  -0.166370D+01 -0.432572D+00 -0.970184D+00 -0.988708D+01  0.246642D+01
      2  -0.432572D+00 -0.156614D+01 -0.149023D+01  0.246642D+01 -0.164023D+01
      3  -0.970184D+00 -0.149023D+01 -0.221347D+01 -0.271889D+01  0.665767D+00
               291           292           293           294           295 
      1  -0.271889D+01  0.492899D+01 -0.263227D+01  0.160293D+01 -0.302484D+01
      2   0.665767D+00 -0.263227D+01  0.137399D+01 -0.128705D+01  0.843768D+00
      3  -0.191463D+01  0.160293D+01 -0.128705D+01  0.938472D+00 -0.255148D+01
               296           297           298           299           300 
      1   0.843768D+00 -0.255148D+01 -0.985234D+01 -0.249155D+01  0.269964D+01
      2  -0.757587D+00  0.648137D+00 -0.249155D+01 -0.165733D+01  0.668263D+00
      3   0.648137D+00 -0.156174D+01  0.269964D+01  0.668263D+00 -0.190295D+01
               301           302           303           304           305 
      1  -0.495995D+01 -0.266065D+01  0.160475D+01  0.300403D+01  0.847916D+00
      2  -0.266065D+01 -0.140464D+01  0.129259D+01  0.847916D+00  0.761205D+00
      3   0.160475D+01  0.129259D+01 -0.943537D+00 -0.253963D+01 -0.656323D+00
               306           307           308           309           310 
      1  -0.253963D+01 -0.111966D+01  0.734896D+00  0.105936D+01  0.156332D+01
      2  -0.656323D+00  0.734896D+00 -0.410613D+00 -0.193886D+00 -0.134195D+01
      3   0.155011D+01  0.105936D+01 -0.193886D+00 -0.468624D+00 -0.590920D+00
               311           312           313           314           315 
      1  -0.134195D+01 -0.590920D+00  0.166837D+01 -0.436554D+00 -0.977669D+00
      2   0.419491D+01  0.211139D+01 -0.436554D+00  0.156156D+01  0.148542D+01
      3   0.211139D+01  0.227370D+01 -0.977669D+00  0.148542D+01  0.221026D+01
               316           317           318           319           320 
      1   0.845363D+00  0.767808D+00 -0.384399D-01  0.128667D+01  0.109958D+00
      2   0.767808D+00 -0.878631D-01 -0.387646D+00  0.109958D+00 -0.740901D+00
      3  -0.384399D-01 -0.387646D+00  0.711286D+00 -0.447617D+00  0.568350D+00
               321           322           323           324           325 
      1  -0.447617D+00  0.201739D+01  0.291940D+00 -0.102173D+01  0.488316D+00
      2   0.568350D+00  0.291940D+00  0.106866D+01 -0.122813D+01 -0.406357D+00
      3   0.379668D+00 -0.102173D+01 -0.122813D+01  0.744809D+01 -0.830246D+00
               326           327           328           329           330 
      1  -0.406357D+00 -0.830246D+00 -0.273507D+01 -0.124026D+01  0.961731D+00
      2  -0.106924D+01 -0.146963D+00 -0.124026D+01 -0.602062D+01  0.998439D+00
      3  -0.146963D+00  0.192180D+00  0.961731D+00  0.998439D+00 -0.132533D+01
               331           332           333 
      1  -0.180984D+01 -0.438207D+00  0.559114D+00
      2  -0.438207D+00 -0.194613D-01 -0.482203D+00
      3   0.559114D+00 -0.482203D+00  0.263593D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.242329D+01 -0.272055D+00 -0.152326D-01  0.490995D+00 -0.221525D+01
      2  -0.272020D+01 -0.721807D+01  0.791759D+01 -0.815659D+01 -0.858216D+01
      3  -0.819447D+01 -0.230779D+01  0.334201D+01  0.135301D+01  0.107010D+02
                 6             7             8             9            10 
      1  -0.440613D+01  0.769928D+00 -0.669908D+00 -0.475635D+00  0.243306D+01
      2  -0.639139D+01  0.265687D+01 -0.219963D+00  0.156547D+00  0.277332D+01
      3   0.925802D+01  0.387662D+01  0.982442D+01  0.342994D+01  0.822704D+01
                11            12            13            14            15 
      1   0.340737D+00 -0.436644D-02 -0.421731D+00 -0.222817D+01 -0.441899D+01
      2  -0.725495D+01  0.791410D+01 -0.821999D+01  0.849841D+01  0.639251D+01
      3  -0.216312D+01  0.339547D+01  0.149899D+01 -0.106865D+02 -0.924408D+01
                16            17            18            19            20 
      1  -0.778968D+00 -0.662083D+00 -0.466245D+00  0.109044D+00  0.704528D+01
      2   0.262467D+01  0.207197D+00 -0.139135D+00 -0.160070D+02  0.489617D+00
      3   0.393113D+01 -0.982049D+01 -0.341380D+01 -0.902825D+01  0.464084D+01
                21            22            23            24            25 
      1   0.107279D+01  0.170678D+02  0.151798D+02 -0.957682D+01  0.957582D+01
      2  -0.327070D+01 -0.141156D+01 -0.276462D+01 -0.630638D+00 -0.228858D+02
      3  -0.148466D+00  0.241491D+02  0.166862D+02 -0.882430D+01  0.217410D+01
                26            27            28            29            30 
      1   0.623992D+01 -0.127935D+02 -0.261964D+01 -0.726159D-02  0.116538D-01
      2  -0.830243D+01  0.214638D+02 -0.168814D-01  0.222016D+01  0.787304D-01
      3  -0.267564D+01  0.668706D+00 -0.265407D-02 -0.176466D+00  0.139530D+01
                31            32            33            34            35 
      1  -0.272733D-01  0.737478D+00  0.371659D+00  0.665659D-03 -0.291425D+01
      2   0.504815D-01 -0.161857D-02 -0.971632D-02  0.387128D+01  0.119978D-01
      3  -0.196914D+01  0.152023D-01  0.278520D-01  0.672523D+00  0.894691D-02
                36            37            38            39            40 
      1   0.181353D+00 -0.802075D+01  0.759159D+01  0.774974D+01  0.100622D+02
      2  -0.119129D-01 -0.182177D+02 -0.811580D+01  0.768681D+01  0.156452D+01
      3  -0.156369D-02 -0.231860D+02 -0.339870D+01  0.125838D+02  0.156372D+02
                41            42            43            44            45 
      1   0.955205D+01 -0.273386D+01  0.116723D+02  0.854799D+01 -0.737686D+01
      2  -0.415480D+00 -0.979770D+01 -0.164847D+02 -0.166445D+02  0.174196D+02
      3   0.142382D+02 -0.635003D+01  0.562875D+01 -0.510724D+01  0.274703D+01
                46            47            48            49            50 
      1   0.647039D+01 -0.387781D+01  0.313616D+01 -0.284792D+01 -0.719423D+01
      2  -0.420817D+01  0.520811D+01 -0.245060D+01  0.351816D+01  0.519697D+01
      3  -0.439127D+01  0.121861D+01 -0.906943D+01  0.775241D+01 -0.227884D+01
                51            52            53            54            55 
      1  -0.724066D+01  0.163489D+01 -0.362377D+01  0.121254D+01 -0.737483D+00
      2   0.353931D+01 -0.440656D+01  0.434721D+01 -0.121444D+01 -0.943891D+00
      3  -0.364553D+01 -0.135322D+02 -0.160050D+01 -0.594454D+01  0.686559D+01
                56            57            58            59            60 
      1   0.810366D+01 -0.772584D+01  0.979833D+01  0.166625D+01 -0.667091D+00
      2  -0.348835D+01  0.474756D+01 -0.321467D+01  0.103811D+01  0.865822D+00
      3  -0.610545D+01  0.164073D+01  0.440929D-01 -0.660801D+00 -0.939885D+01
                61            62            63            64            65 
      1  -0.714826D+01  0.595249D+00 -0.133584D+01  0.617641D+00  0.239786D+01
      2   0.488247D+00  0.108940D+01  0.423300D+00 -0.295786D+01  0.163295D+02
      3   0.574445D+01 -0.122592D+02  0.636261D+01  0.331443D+00 -0.294162D+02
                66            67            68            69            70 
      1   0.727939D+01 -0.353190D+01 -0.159873D+02  0.265507D+01  0.701113D+01
      2   0.111616D+02  0.908575D+01 -0.404400D+01 -0.494736D+01  0.122243D+01
      3  -0.120115D+02 -0.915769D+01  0.864395D+01  0.792438D+01 -0.682296D+01
                71            72            73            74            75 
      1   0.272669D+02  0.179226D+02  0.152223D+00 -0.710773D+01 -0.100455D+01
      2  -0.115292D+01  0.210484D+01  0.160813D+02  0.495754D+00 -0.319941D+01
      3   0.233696D+01 -0.266840D+01  0.895517D+01  0.470662D+01 -0.162986D+00
                76            77            78            79            80 
      1  -0.171018D+02  0.150891D+02 -0.955301D+01 -0.951973D+01  0.621329D+01
      2  -0.144064D+01  0.283252D+01  0.616152D+00 -0.228683D+02  0.828352D+01
      3   0.241609D+02 -0.165731D+02  0.879008D+01  0.218088D+01  0.267422D+01
                81            82            83            84            85 
      1  -0.127163D+02 -0.802500D+01 -0.761366D+01 -0.780818D+01 -0.101216D+02
      2  -0.215185D+02  0.181374D+02 -0.811956D+01  0.763189D+01  0.160328D+01
      3  -0.704219D+00  0.230887D+02 -0.333227D+01  0.125983D+02  0.157520D+02
                86            87            88            89            90 
      1   0.949559D+01 -0.278787D+01 -0.116615D+02  0.844449D+01 -0.732533D+01
      2   0.382930D+00  0.985931D+01 -0.165459D+02  0.166257D+02 -0.173930D+02
      3  -0.142132D+02  0.641999D+01  0.561493D+01  0.514965D+01 -0.274738D+01
                91            92            93            94            95 
      1   0.642901D+01  0.391969D+01 -0.306505D+01  0.289234D+01 -0.711357D+01
      2   0.420870D+01  0.526463D+01 -0.241573D+01  0.354993D+01 -0.514826D+01
      3   0.437602D+01  0.128356D+01 -0.909172D+01  0.777007D+01  0.231548D+01
                96            97            98            99           100 
      1  -0.726218D+01 -0.157090D+01 -0.364884D+01  0.118837D+01 -0.650535D+00
      2  -0.360310D+01 -0.436236D+01 -0.441388D+01  0.120602D+01  0.977641D+00
      3   0.357464D+01 -0.135219D+02  0.150382D+01  0.594498D+01 -0.681599D+01
               101           102           103           104           105 
      1  -0.814601D+01  0.766231D+01 -0.983712D+01  0.165392D+01 -0.584504D+00
      2  -0.351554D+01  0.476890D+01 -0.325262D+01 -0.105509D+01 -0.848725D+00
      3  -0.618600D+01  0.159005D+01 -0.998780D-03  0.578925D+00  0.943021D+01
               106           107           108           109           110 
      1   0.708813D+01  0.672793D+00 -0.129693D+01  0.592064D+00 -0.240076D+01
      2   0.501983D+00 -0.108550D+01 -0.420348D+00  0.287526D+01  0.163101D+02
      3   0.567236D+01  0.123182D+02 -0.631077D+01 -0.201414D+00 -0.293692D+02
               111           112           113           114           115 
      1  -0.732584D+01  0.357183D+01 -0.160307D+02  0.256917D+01 -0.709728D+01
      2   0.111072D+02  0.909771D+01  0.408624D+01  0.500224D+01  0.118477D+01
      3  -0.119693D+02 -0.911992D+01 -0.877550D+01 -0.796933D+01 -0.679621D+01
               116           117           118           119           120 
      1   0.272388D+02  0.179460D+02 -0.451263D+01  0.102730D+01 -0.315276D+01
      2   0.124377D+01 -0.205038D+01  0.535193D+01 -0.107825D+01  0.546517D+01
      3  -0.236218D+01  0.265562D+01  0.121523D+02 -0.449345D+01  0.503148D+01
               121           122           123           124           125 
      1   0.155606D+01 -0.110511D+01  0.776210D+00 -0.447784D+01  0.230489D+01
      2  -0.194514D+01  0.142400D+01 -0.224295D+01  0.461962D+01 -0.641988D+00
      3  -0.390498D+01  0.706379D+01 -0.296606D+01  0.849174D+01 -0.494796D+01
               126           127           128           129           130 
      1  -0.609858D+01  0.145915D+01  0.904887D+00 -0.357578D+01  0.188639D+01
      2   0.715868D+01 -0.697124D+00 -0.112531D+01  0.355917D+01 -0.174800D+01
      3   0.513338D+01  0.459843D+01 -0.395645D+00 -0.883678D+00  0.805617D+00
               131           132           133           134           135 
      1   0.921686D+00 -0.405420D+01 -0.159307D+01  0.458847D+00  0.523186D+01
      2  -0.228791D+01  0.352643D+01  0.888184D+00  0.179721D+01 -0.479971D+01
      3  -0.562588D+01  0.805231D+00  0.133091D+01  0.402087D+01  0.132676D+00
               136           137           138           139           140 
      1   0.473390D+01 -0.354454D+01  0.522979D+01 -0.246185D+01  0.364011D+01
      2  -0.985749D+00  0.677975D+00  0.332993D+00  0.577838D+00 -0.755294D+00
      3  -0.123210D+02  0.373141D+01 -0.520841D+01  0.435449D+01 -0.700035D+01
               141           142           143           144           145 
      1  -0.394213D+01  0.451770D+01 -0.437514D+01  0.921089D+01 -0.418493D+00
      2   0.185997D+00 -0.230284D+01  0.521390D+00 -0.165393D+01 -0.389634D+00
      3   0.279590D+01 -0.853214D+01  0.484000D+01 -0.517065D+01  0.318658D+01
               146           147           148           149           150 
      1  -0.205959D+01 -0.190228D+01 -0.828290D+00 -0.349764D+01 -0.681671D+01
      2   0.598448D-01  0.872566D+00 -0.515528D+00  0.104202D+01  0.199036D+01
      3   0.375865D+01  0.993234D+00  0.507351D+01 -0.210414D+01 -0.385132D+00
               151           152           153           154           155 
      1  -0.382003D+00 -0.201175D+01 -0.660172D+01  0.468793D+01  0.356343D+01
      2  -0.144908D+01  0.253559D+00  0.203947D+01  0.984216D+00  0.690493D+00
      3   0.263232D+01  0.317637D+01 -0.250665D+00  0.122727D+02  0.378934D+01
               156           157           158           159           160 
      1  -0.520418D+01  0.247596D+01  0.366879D+01 -0.398242D+01 -0.447302D+01
      2   0.321386D+00  0.589940D+00  0.764830D+00 -0.200473D+00 -0.230230D+01
      3  -0.517681D+01  0.440504D+01  0.705907D+01 -0.281798D+01 -0.849687D+01
               161           162           163           164           165 
      1  -0.441056D+01  0.918308D+01 -0.439935D+00  0.207392D+01  0.194134D+01
      2  -0.549796D+00  0.167882D+01  0.393271D+00  0.705570D-01  0.891690D+00
      3  -0.488178D+01  0.515308D+01 -0.323482D+01  0.374343D+01  0.100132D+01
               166           167           168           169           170 
      1   0.856642D+00 -0.350403D+01 -0.680542D+01  0.412169D+00 -0.202733D+01
      2  -0.505329D+00 -0.106255D+01 -0.201465D+01 -0.144918D+01 -0.264062D+00
      3   0.504325D+01  0.212917D+01  0.380913D+00  0.265800D+01 -0.317879D+01
               171           172           173           174           175 
      1  -0.663446D+01 -0.447779D+01 -0.103944D+01  0.312057D+01 -0.156389D+01
      2  -0.207688D+01 -0.535234D+01 -0.110768D+01  0.545923D+01 -0.197066D+01
      3   0.234461D+00 -0.121383D+02 -0.454301D+01  0.502378D+01 -0.394800D+01
               176           177           178           179           180 
      1  -0.112004D+01  0.789315D+00  0.443610D+01  0.233739D+01 -0.605661D+01
      2  -0.145104D+01  0.227897D+01  0.462100D+01  0.683767D+00 -0.716236D+01
      3  -0.713645D+01  0.299489D+01  0.846776D+01  0.499714D+01 -0.513471D+01
               181           182           183           184           185 
      1   0.146077D+01 -0.897315D+00  0.357387D+01 -0.187418D+01  0.894887D+00
      2   0.706660D+00 -0.113120D+01  0.358191D+01 -0.175536D+01  0.227002D+01
      3  -0.460828D+01 -0.437203D+00 -0.877548D+00  0.765652D+00  0.562660D+01
               186           187           188           189           190 
      1  -0.402865D+01  0.158004D+01  0.472393D+00  0.520430D+01  0.470779D+01
      2  -0.352608D+01  0.887010D+00 -0.177713D+01  0.480552D+01 -0.323484D+01
      3  -0.803297D+00  0.133734D+01 -0.399608D+01 -0.135304D+00 -0.743504D+01
               191           192           193           194           195 
      1   0.422300D+01  0.330341D+01  0.442111D+01  0.572218D+01  0.207407D+01
      2  -0.106901D+01  0.661406D+00 -0.477602D+01  0.576038D+00 -0.478327D+00
      3  -0.606520D+01 -0.368188D+01 -0.659743D+01 -0.669441D+01 -0.372528D+01
               196           197           198           199           200 
      1   0.220155D+01  0.230626D+01  0.275106D+01  0.153697D+01 -0.182152D+01
      2   0.590280D+00  0.626511D+00  0.117553D+01 -0.531606D+00  0.253365D+01
      3  -0.210371D+01 -0.841786D+00 -0.305164D+01 -0.207990D+01  0.250902D+01
               201           202           203           204           205 
      1  -0.695761D+00  0.422495D+00 -0.446881D+00 -0.769623D+00 -0.407634D-01
      2  -0.582224D+01  0.153785D+01  0.177922D+01 -0.291309D+01 -0.164384D+01
      3  -0.282015D+01  0.140484D+01  0.131494D+01 -0.187335D+01 -0.122936D+00
               206           207           208           209           210 
      1   0.147647D+01  0.418875D+01 -0.312328D+01  0.322542D+01 -0.197248D+01
      2  -0.300691D+01  0.120422D+02 -0.851869D+01 -0.378998D+01 -0.336055D+01
      3  -0.243813D+01  0.252952D+01  0.124740D+02  0.358655D+01  0.584968D+01
               211           212           213           214           215 
      1   0.159448D+00 -0.872044D+00 -0.165408D+01 -0.246159D+01 -0.505421D+00
      2  -0.192821D+01 -0.103020D+01 -0.115988D+01 -0.260091D+01 -0.491481D+00
      3   0.304319D+01  0.195347D+01  0.136718D+01  0.230771D+01  0.142882D+01
               216           217           218           219           220 
      1  -0.240867D+01 -0.238726D+01 -0.325035D+00  0.525863D+01 -0.346113D+00
      2  -0.188616D+01  0.191220D+01 -0.157008D+01 -0.163173D+01  0.730187D+00
      3   0.310236D+01 -0.236416D+01  0.109216D+01  0.309714D+01 -0.546628D-01
               221           222           223           224           225 
      1   0.787070D+00  0.289890D+01  0.236171D+01  0.454134D-01 -0.122334D+02
      2  -0.210640D+01 -0.136949D+01 -0.266854D+01  0.725829D+00  0.199701D+01
      3   0.302625D+01  0.145136D+01  0.230235D+01 -0.116074D+01 -0.262985D+01
               226           227           228           229           230 
      1   0.517712D+00 -0.941589D+00  0.788902D+00  0.228267D+01 -0.104831D+02
      2   0.142997D+01  0.660916D+00  0.152428D+01  0.300550D+01  0.579872D+00
      3   0.644028D+00  0.421609D+00 -0.522653D+00  0.111120D+01  0.127181D+02
               231           232           233           234           235 
      1   0.402335D-01  0.226305D+01 -0.226199D+01  0.105100D+00 -0.157025D+01
      2  -0.938676D+00  0.191785D+01 -0.187790D+01  0.899384D+00  0.148283D+01
      3  -0.154766D+01  0.284806D+00  0.205825D+01  0.509012D+00  0.178288D+01
               236           237           238           239           240 
      1   0.704371D+00 -0.189846D+01  0.822141D+00  0.120190D+00  0.168045D+01
      2   0.118998D+01 -0.261827D+01 -0.357338D+00  0.156418D+01  0.790535D+00
      3  -0.740334D+00 -0.385116D+00 -0.212371D-01  0.579755D+00 -0.170979D+01
               241           242           243           244           245 
      1   0.160311D+01  0.631039D+00  0.725172D+01 -0.313580D+01 -0.320773D+01
      2  -0.165327D+01 -0.278904D+01  0.145608D+02  0.851409D+01 -0.378271D+01
      3  -0.248030D+01 -0.144336D+01  0.147472D+01 -0.124836D+02  0.355501D+01
               246           247           248           249           250 
      1   0.200087D+01 -0.157838D+00 -0.888918D+00 -0.165299D+01  0.247529D+01
      2  -0.335636D+01 -0.190312D+01  0.100476D+01  0.114372D+01 -0.259338D+01
      3   0.585635D+01  0.300539D+01 -0.193770D+01 -0.135057D+01  0.231530D+01
               251           252           253           254           255 
      1  -0.498059D+00 -0.241957D+01 -0.238993D+01  0.317943D+00 -0.527813D+01
      2   0.489040D+00  0.188113D+01 -0.192716D+01 -0.158627D+01 -0.165551D+01
      3  -0.143317D+01 -0.311199D+01  0.237273D+01  0.111601D+01  0.311178D+01
               256           257           258           259           260 
      1   0.331205D+00  0.765166D+00  0.285874D+01 -0.236361D+01  0.246036D-01
      2   0.714711D+00  0.210581D+01  0.137041D+01 -0.267794D+01 -0.739550D+00
      3  -0.382461D-01 -0.301667D+01 -0.143963D+01  0.230527D+01  0.117287D+01
               261           262           263           264           265 
      1  -0.122233D+02  0.472693D+01 -0.422800D+01 -0.329049D+01 -0.440199D+01
      2  -0.204352D+01  0.328286D+01 -0.108574D+01  0.653107D+00 -0.479578D+01
      3   0.264313D+01  0.749873D+01 -0.609471D+01 -0.367794D+01 -0.661264D+01
               266           267           268           269           270 
      1   0.570897D+01  0.203770D+01 -0.218973D+01  0.228399D+01  0.272552D+01
      2  -0.552979D+00  0.485348D+00  0.601489D+00 -0.615861D+00 -0.116182D+01
      3   0.669354D+01  0.368917D+01 -0.208369D+01  0.815506D+00  0.303095D+01
               271           272           273           274           275 
      1   0.151657D+01  0.180875D+01  0.718128D+00 -0.423008D+00 -0.430586D+00
      2   0.542183D+00  0.253939D+01 -0.581941D+01  0.153965D+01 -0.175555D+01
      3   0.207522D+01  0.250723D+01 -0.280937D+01  0.140991D+01 -0.128905D+01
               276           277           278           279           280 
      1  -0.771105D+00  0.394382D-01  0.147579D+01  0.424364D+01  0.732551D+00
      2   0.286852D+01 -0.163115D+01  0.299557D+01 -0.120656D+02  0.401345D+01
      3   0.185522D+01 -0.120590D+00  0.243878D+01 -0.251248D+01 -0.286280D+01
               281           282           283           284           285 
      1   0.685690D-01  0.140771D+00  0.136840D+01  0.533337D+01  0.659815D+00
      2  -0.520701D+00  0.370531D+00 -0.489255D+00  0.628122D+01  0.827488D+01
      3  -0.874200D+00 -0.534463D+00 -0.141354D+01 -0.162346D+02 -0.765170D+01
               286           287           288           289           290 
      1   0.140385D+00  0.305668D+01  0.118702D+01 -0.126488D+01  0.156532D+01
      2  -0.348951D+00  0.519648D+01  0.640862D+01 -0.136804D+01 -0.253877D+00
      3  -0.121546D+01 -0.587331D+01 -0.588587D+01  0.427473D+01 -0.642732D+01
               291           292           293           294           295 
      1  -0.575088D-01  0.166787D+01 -0.140139D+01 -0.871812D-01 -0.351546D-01
      2   0.580014D+01  0.451341D+01  0.111628D+01 -0.121382D+01  0.248316D+01
      3   0.200311D+01 -0.297831D+01  0.464553D+01 -0.336416D+01 -0.319481D+00
               296           297           298           299           300 
      1   0.132357D+01  0.606484D-01 -0.126200D+01 -0.156022D+01  0.324551D-01
      2  -0.158325D+01  0.278362D+01  0.134708D+01 -0.248938D+00  0.579397D+01
      3  -0.313295D+01  0.999737D+00 -0.426641D+01 -0.644105D+01  0.198907D+01
               301           302           303           304           305 
      1  -0.169177D+01 -0.140981D+01 -0.972723D-01  0.268812D-01  0.131160D+01
      2   0.453439D+01 -0.109883D+01  0.124091D+01  0.248079D+01  0.159725D+01
      3  -0.299906D+01 -0.470390D+01  0.336885D+01 -0.324413D+00  0.312573D+01
               306           307           308           309           310 
      1   0.685009D-01  0.746393D+00 -0.966163D-01 -0.146253D+00 -0.139247D+01
      2  -0.275987D+01 -0.400272D+01 -0.497354D+00  0.416407D+00 -0.463700D+00
      3  -0.100312D+01  0.286087D+01 -0.959287D+00 -0.576047D+00 -0.150792D+01
               311           312           313           314           315 
      1   0.533299D+01  0.675983D+00 -0.155625D+00  0.306717D+01  0.120041D+01
      2  -0.625179D+01 -0.827026D+01 -0.313653D+00 -0.517963D+01 -0.640259D+01
      3   0.162288D+02  0.764438D+01 -0.124806D+01  0.587017D+01  0.588098D+01
               316           317           318           319           320 
      1  -0.155809D+01 -0.715557D+00  0.189472D+01 -0.836713D+00  0.123853D+00
      2  -0.148186D+01  0.117562D+01 -0.259382D+01 -0.363536D+00 -0.155678D+01
      3  -0.178748D+01 -0.753582D+00 -0.377416D+00 -0.409005D-01 -0.575339D+00
               321           322           323           324           325 
      1   0.170737D+01 -0.160695D+01  0.620598D+00  0.731280D+01  0.540350D+00
      2  -0.823649D+00 -0.165376D+01  0.276255D+01 -0.145388D+02 -0.145384D+01
      3   0.171238D+01 -0.248849D+01  0.142641D+01 -0.144400D+01 -0.634981D+00
               326           327           328           329           330 
      1   0.980682D+00 -0.792344D+00 -0.226557D+01 -0.104804D+02  0.550240D-01
      2   0.658763D+00  0.151916D+01  0.299973D+01 -0.622881D+00  0.948557D+00
      3   0.468882D+00 -0.536168D+00  0.112925D+01 -0.127121D+02  0.157519D+01
               331           332           333 
      1  -0.225489D+01 -0.225567D+01  0.105376D+00
      2   0.189846D+01  0.187832D+01 -0.905028D+00
      3   0.280171D+00 -0.203385D+01 -0.511966D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.251311D+02  0.264772D+02 -0.228581D+02  0.322662D+02 -0.367808D+01
      2   0.163212D+02 -0.153434D+02  0.113817D+02 -0.187931D+02  0.365721D+01
      3   0.880990D+01 -0.111337D+02  0.114764D+02 -0.134732D+02  0.208778D-01
      4   0.235256D+02 -0.660943D+01  0.425432D+01 -0.898060D+01 -0.112998D+02
      5  -0.224263D+02  0.573921D+01 -0.794276D+01  0.103851D+02 -0.189529D+02
      6   0.763002D+01 -0.575272D+00 -0.737776D+00 -0.470966D+01 -0.493395D+01
                 6             7             8             9            10 
      1   0.794224D+01 -0.148756D+02  0.526196D+01 -0.445693D+01 -0.247579D+02
      2  -0.489340D+01  0.657179D+01 -0.344359D+01  0.385250D+00  0.159959D+02
      3  -0.304884D+01  0.830379D+01 -0.181837D+01  0.407168D+01  0.876207D+01
      4  -0.163242D+02  0.461232D+01 -0.133894D+02 -0.353402D+01 -0.236476D+02
      5  -0.556390D+01 -0.810991D+01 -0.361473D+01  0.340314D+01  0.222743D+02
      6  -0.621658D+01  0.561752D-01 -0.563287D+01 -0.155015D+01  0.766087D+01
                11            12            13            14            15 
      1  -0.265139D+02  0.227852D+02 -0.323491D+02 -0.412348D+01  0.782339D+01
      2   0.153235D+02 -0.112982D+02  0.187992D+02  0.391983D+01 -0.478532D+01
      3   0.111904D+02 -0.114870D+02  0.135498D+02  0.203649D+00 -0.303807D+01
      4  -0.697397D+01  0.426007D+01 -0.942082D+01  0.112164D+02  0.163979D+02
      5   0.566498D+01 -0.786052D+01  0.102975D+02  0.190465D+02  0.558068D+01
      6   0.655018D+00  0.761981D+00  0.481783D+01 -0.482923D+01 -0.616770D+01
                16            17            18            19            20 
      1   0.147830D+02  0.512733D+01 -0.439095D+01  0.188887D+02  0.139414D+02
      2  -0.648339D+01 -0.332721D+01  0.371711D+00 -0.189769D+02 -0.102875D+02
      3  -0.829963D+01 -0.180013D+01  0.401923D+01  0.882053D-01 -0.365389D+01
      4   0.457409D+01  0.134450D+02  0.353385D+01  0.513687D+01 -0.998098D+00
      5  -0.805519D+01  0.362794D+01 -0.342690D+01 -0.122069D+02 -0.339172D+01
      6  -0.321156D-01 -0.561200D+01 -0.155051D+01 -0.781366D+01  0.139398D+01
                21            22            23            24            25 
      1  -0.133220D+02  0.588037D+01  0.328171D+01  0.169549D+01 -0.560319D+01
      2   0.122226D+02 -0.464382D+01 -0.987271D+01  0.476413D+00  0.591274D+01
      3   0.109935D+01 -0.123655D+01  0.659099D+01 -0.217190D+01 -0.309548D+00
      4  -0.100736D+01 -0.785168D+00 -0.124721D+02 -0.139296D+01 -0.854580D+00
      5   0.784981D+01 -0.178341D+01 -0.262117D+01  0.168872D+01  0.574510D+01
      6   0.169318D+01  0.119096D+00  0.490201D+01  0.316513D+01  0.131048D+00
                26            27            28            29            30 
      1  -0.529143D+00  0.119454D+02 -0.121929D+02 -0.524395D-02  0.211822D-01
      2  -0.579605D+00  0.444818D+01  0.274688D+01  0.934973D-04 -0.260638D-01
      3   0.110875D+01 -0.163935D+02  0.944600D+01  0.515046D-02  0.488157D-02
      4   0.514395D+00 -0.177627D+01 -0.124281D-02 -0.638378D+01 -0.489821D+01
      5  -0.523628D+00  0.790109D+01  0.184570D-01 -0.285203D+01 -0.221044D+01
      6   0.282248D+01  0.299772D+01 -0.257730D+01 -0.489809D-02  0.613440D-02
                31            32            33            34            35 
      1  -0.141587D-01  0.246859D+01 -0.507350D+01  0.174832D-01 -0.803328D+01
      2   0.125010D-01 -0.113411D+02  0.650083D+01 -0.223817D-01  0.879908D+01
      3   0.165774D-02  0.887247D+01 -0.142733D+01  0.489849D-02 -0.765803D+00
      4  -0.795460D+01  0.315383D-02 -0.232846D-01 -0.831153D+01 -0.150858D-01
      5  -0.253787D+01 -0.546961D-02 -0.721355D-02  0.535149D+01 -0.376647D-02
      6  -0.383761D-02  0.344799D+01 -0.189708D+01  0.860766D-02  0.415362D+01
                36            37            38            39            40 
      1  -0.282852D+00 -0.837458D+01  0.162250D+01  0.108948D+02  0.292600D+00
      2  -0.340580D+00  0.128183D+02 -0.371978D+01 -0.827289D+01  0.136526D+01
      3   0.623433D+00 -0.444376D+01  0.209728D+01 -0.262188D+01 -0.165786D+01
      4  -0.419650D-02  0.128646D+02  0.721623D+01 -0.891911D+01  0.115470D+02
      5   0.134734D-01  0.286711D+01 -0.119988D+02  0.227168D+01 -0.115178D+02
      6  -0.813006D+00 -0.423288D+01 -0.571382D+01  0.670966D+01 -0.480645D+01
                41            42            43            44            45 
      1  -0.688399D+01 -0.545829D+01  0.920877D+01 -0.557469D+01  0.643123D+01
      2   0.617161D+01 -0.488878D+01 -0.485448D+01 -0.894259D+00  0.302764D+01
      3   0.712380D+00  0.103471D+02 -0.435429D+01  0.646895D+01 -0.945887D+01
      4   0.103690D+02 -0.104219D+02 -0.303128D+01 -0.618443D+01  0.293359D+01
      5  -0.515389D+01  0.374479D+01  0.123679D+01  0.117254D+01  0.182955D+01
      6  -0.346887D+01  0.746069D+00  0.440382D+01 -0.342796D+00  0.697358D+01
                46            47            48            49            50 
      1  -0.823864D+01  0.121360D+01 -0.138491D+02  0.247560D+01 -0.121164D+01
      2   0.196139D+01 -0.196679D+01  0.182005D+02 -0.770390D+01 -0.164050D+00
      3   0.627725D+01  0.753192D+00 -0.435139D+01  0.522829D+01  0.137568D+01
      4  -0.142173D+02 -0.876537D+01  0.911976D+01 -0.164991D+02 -0.127199D+02
      5  -0.328487D+01  0.137080D+02 -0.897453D+01  0.144754D+02  0.135698D+02
      6   0.222216D+01  0.157509D+02 -0.986801D+01  0.161260D+02  0.130285D+02
                51            52            53            54            55 
      1   0.629432D+01 -0.162941D+02  0.737766D+01 -0.945520D+01  0.430620D+01
      2   0.787672D+01  0.203726D+02  0.499786D+01  0.454458D+01 -0.441277D+01
      3  -0.141710D+02 -0.407855D+01 -0.123755D+02  0.491062D+01  0.106576D+00
      4   0.215509D+02  0.135466D+02  0.252952D+02 -0.118867D+02  0.309051D+01
      5  -0.194584D+01 -0.136860D+02 -0.454570D+01  0.148758D+01  0.147582D+01
      6  -0.551949D+01 -0.129235D+02 -0.578613D+01  0.243914D+01  0.484916D+01
                56            57            58            59            60 
      1   0.501200D+01  0.109036D+02  0.226652D+01  0.185824D+02  0.384298D+01
      2  -0.796295D+01 -0.206708D+02 -0.809523D+00 -0.278745D+02 -0.154600D+02
      3   0.295095D+01  0.976715D+01 -0.145700D+01  0.929204D+01  0.116170D+02
      4  -0.970002D+01  0.124380D+00 -0.308709D+01 -0.127122D+02 -0.212736D+02
      5  -0.327352D+01 -0.109774D+01 -0.352537D+01 -0.953063D+01 -0.437882D+01
      6  -0.188140D+02  0.364227D+01 -0.180006D+02 -0.210952D+02 -0.116682D+02
                61            62            63            64            65 
      1   0.139202D+02  0.888770D+01  0.107903D+02  0.228869D+01 -0.575738D+01
      2  -0.220758D+02 -0.196989D+02 -0.149722D+02 -0.119200D+01  0.576437D+01
      3   0.815559D+01  0.108112D+02  0.418190D+01 -0.109669D+01 -0.699141D-02
      4   0.205851D+01 -0.248607D+02  0.133446D+01  0.843602D+01  0.193323D+01
      5  -0.244793D+00 -0.399958D+01 -0.127455D+01  0.286356D+01 -0.304133D+01
      6   0.429054D+01 -0.174917D+02 -0.125706D+01 -0.699147D+01  0.866625D+01
                66            67            68            69            70 
      1  -0.127509D+01 -0.551445D+01 -0.117978D+02 -0.509786D+01 -0.237921D+01
      2   0.114164D+02  0.211869D+01  0.144484D+02  0.812905D+01  0.101228D+02
      3  -0.101413D+02  0.339576D+01 -0.265059D+01 -0.303118D+01 -0.774354D+01
      4  -0.280630D+01 -0.243824D+01  0.174841D+02  0.126855D+02 -0.309286D+01
      5  -0.376171D+01 -0.200517D+01  0.181671D+01  0.275307D+01 -0.250562D+01
      6   0.211023D-01  0.942699D+01  0.126725D+02  0.592295D+01 -0.143746D+01
                71            72            73            74            75 
      1  -0.217709D+01  0.125043D+01  0.189674D+02 -0.138841D+02  0.132797D+02
      2   0.152974D+01  0.684431D+01 -0.190212D+02  0.102662D+02 -0.122244D+02
      3   0.647353D+00 -0.809474D+01  0.538038D-01  0.361794D+01 -0.105533D+01
      4   0.629984D+01 -0.753264D+00 -0.496383D+01 -0.117081D+01 -0.924059D+00
      5   0.181797D+01 -0.553984D+01  0.122428D+02 -0.337691D+01  0.789399D+01
      6   0.299133D+01 -0.507340D+01 -0.775219D+01 -0.145334D+01 -0.169553D+01
                76            77            78            79            80 
      1  -0.580527D+01  0.307175D+01  0.171324D+01  0.559294D+01 -0.545447D+00
      2   0.459496D+01 -0.971155D+01  0.387678D+00 -0.591981D+01 -0.641926D+00
      3   0.121030D+01  0.663980D+01 -0.210092D+01  0.326873D+00  0.118737D+01
      4  -0.913166D+00  0.125102D+02  0.140968D+01 -0.818390D+00 -0.501917D+00
      5  -0.174640D+01  0.259708D+01 -0.163274D+01  0.576501D+01  0.563171D+00
      6  -0.181017D+00  0.487241D+01  0.315207D+01 -0.129571D+00  0.280902D+01
                81            82            83            84            85 
      1   0.119982D+02 -0.822875D+01 -0.161435D+01 -0.108564D+02 -0.316565D+00
      2   0.442191D+01  0.127076D+02  0.378434D+01  0.828887D+01 -0.125514D+01
      3  -0.164201D+02 -0.447882D+01 -0.216998D+01  0.256757D+01  0.157170D+01
      4   0.182596D+01 -0.129980D+02  0.722249D+01 -0.904369D+01  0.115520D+02
      5  -0.788464D+01 -0.279508D+01 -0.120660D+02  0.224649D+01 -0.115709D+02
      6   0.302906D+01 -0.427321D+01  0.571882D+01 -0.673329D+01  0.479234D+01
                86            87            88            89            90 
      1  -0.680353D+01 -0.559875D+01 -0.920809D+01 -0.569240D+01  0.639536D+01
      2   0.613616D+01 -0.476951D+01  0.487608D+01 -0.795309D+00  0.297209D+01
      3   0.667370D+00  0.103683D+02  0.433201D+01  0.648771D+01 -0.936745D+01
      4  -0.103945D+02  0.104020D+02 -0.310995D+01  0.616312D+01 -0.292205D+01
      5   0.506909D+01 -0.377349D+01  0.119539D+01 -0.119487D+01 -0.183612D+01
      6  -0.342193D+01  0.672207D+00 -0.442737D+01 -0.387256D+00  0.695535D+01
                91            92            93            94            95 
      1  -0.835288D+01 -0.125338D+01  0.137564D+02 -0.242857D+01 -0.134489D+01
      2   0.203817D+01  0.200392D+01 -0.181984D+02  0.764619D+01 -0.743485D-01
      3   0.631471D+01 -0.750546D+00  0.444200D+01 -0.521762D+01  0.141924D+01
      4   0.142541D+02 -0.880454D+01  0.936260D+01 -0.165600D+02  0.127256D+02
      5   0.316274D+01  0.138580D+02 -0.896670D+01  0.146181D+02 -0.134992D+02
      6   0.237108D+01 -0.157754D+02  0.980241D+01 -0.161338D+02  0.128685D+02
                96            97            98            99           100 
      1   0.654095D+01  0.161723D+02  0.766586D+01 -0.949689D+01  0.437535D+01
      2   0.763839D+01 -0.203113D+02  0.470631D+01  0.463272D+01 -0.450083D+01
      3  -0.141793D+02  0.413896D+01 -0.123722D+02  0.486417D+01  0.125479D+00
      4  -0.215364D+02  0.138060D+02 -0.252376D+02  0.117545D+02 -0.298600D+01
      5   0.191580D+01 -0.136873D+02  0.447496D+01 -0.151024D+01 -0.146432D+01
      6  -0.543623D+01  0.128263D+02 -0.568330D+01  0.244314D+01  0.466237D+01
               101           102           103           104           105 
      1  -0.493342D+01 -0.109374D+02 -0.222927D+01  0.183747D+02  0.359586D+01
      2   0.785795D+01  0.207736D+02  0.748519D+00 -0.275464D+02 -0.151150D+02
      3  -0.292452D+01 -0.983614D+01  0.148076D+01  0.917170D+01  0.115191D+02
      4  -0.985755D+01 -0.124778D+00 -0.316749D+01  0.127020D+02  0.213606D+02
      5  -0.340761D+01 -0.113247D+01 -0.364839D+01  0.957929D+01  0.445316D+01
      6   0.189571D+02 -0.349885D+01  0.181110D+02 -0.208523D+02 -0.117357D+02
               106           107           108           109           110 
      1  -0.139884D+02  0.861683D+01  0.108121D+02  0.229168D+01  0.578132D+01
      2   0.222027D+02 -0.193483D+02 -0.150448D+02 -0.123169D+01 -0.576539D+01
      3  -0.821427D+01  0.107314D+02  0.423272D+01 -0.105999D+01 -0.159313D-01
      4   0.177887D+01  0.250201D+02 -0.112567D+01 -0.841191D+01  0.201306D+01
      5  -0.266241D+00  0.412090D+01  0.130453D+01 -0.283695D+01 -0.300523D+01
      6  -0.411181D+01 -0.175913D+02 -0.133959D+01 -0.690960D+01 -0.875600D+01
               111           112           113           114           115 
      1   0.130793D+01  0.556869D+01 -0.115740D+02 -0.499697D+01  0.241291D+01
      2  -0.114515D+02 -0.216398D+01  0.141958D+02  0.794601D+01 -0.101483D+02
      3   0.101436D+02 -0.340471D+01 -0.262179D+01 -0.294904D+01  0.773542D+01
      4  -0.268536D+01 -0.237889D+01 -0.175536D+02 -0.127320D+02 -0.300292D+01
      5  -0.372627D+01 -0.197378D+01 -0.186816D+01 -0.279245D+01 -0.248358D+01
      6  -0.893029D-01 -0.949906D+01  0.125960D+02  0.594827D+01  0.138585D+01
               116           117           118           119           120 
      1  -0.213282D+01  0.124311D+01  0.323284D+02 -0.229007D+01  0.106393D+02
      2   0.142918D+01  0.689657D+01 -0.183629D+02  0.512208D+01 -0.744767D+01
      3   0.703633D+00 -0.813968D+01 -0.139655D+02 -0.283201D+01 -0.319168D+01
      4  -0.634749D+01  0.693895D+00  0.165835D+02  0.737676D+01  0.331070D+01
      5  -0.184734D+01  0.554395D+01  0.107918D+02 -0.173453D+01  0.950107D+01
      6   0.303199D+01 -0.501999D+01  0.515795D+01 -0.725265D+00  0.540063D+01
               121           122           123           124           125 
      1  -0.844781D+01  0.636975D+01 -0.427342D+01  0.173231D+02 -0.307385D+01
      2   0.749251D+01 -0.578069D+01  0.273473D+01 -0.128478D+02  0.461164D+01
      3   0.955299D+00 -0.589060D+00  0.153869D+01 -0.447526D+01 -0.153780D+01
      4   0.379108D+01 -0.241557D+00  0.214318D+00  0.752984D+01  0.219335D+01
      5  -0.335947D+01  0.250884D+01 -0.229427D+01  0.136690D+02  0.157122D+00
      6  -0.164290D+01  0.667321D+00  0.295604D+00  0.793567D+01  0.198312D+01
               126           127           128           129           130 
      1   0.952485D+01  0.146828D+02  0.711945D+01 -0.386251D+01  0.225186D+01
      2  -0.794440D+01  0.208012D+00  0.469934D+01 -0.958203D+00  0.112902D+02
      3  -0.158044D+01 -0.148909D+02 -0.118188D+02  0.482071D+01 -0.135421D+02
      4   0.580687D+01  0.298285D+02  0.242154D+02 -0.129188D+02  0.265443D+02
      5   0.125612D+02 -0.115649D+02 -0.961894D+01  0.101476D+02 -0.905062D+01
      6   0.790494D+01 -0.113407D+02 -0.972620D+01  0.845798D+01 -0.122278D+02
               131           132           133           134           135 
      1  -0.632994D+01  0.140436D+01 -0.234911D+01  0.153001D+01  0.281156D-01
      2   0.241983D+02 -0.765239D+01 -0.365485D+01 -0.851015D+01  0.253737D+01
      3  -0.178684D+02  0.624803D+01  0.600395D+01  0.698014D+01 -0.256548D+01
      4   0.335151D+02 -0.149762D+02 -0.204153D+02 -0.209479D+02  0.176159D+02
      5  -0.116580D+02  0.796302D+01  0.152696D+02  0.126605D+02 -0.149749D+02
      6  -0.173856D+02  0.127336D+02  0.150296D+02  0.172839D+02 -0.175926D+02
               136           137           138           139           140 
      1  -0.555740D+01  0.860485D+01 -0.381215D+01  0.507100D+01 -0.163033D+02
      2   0.841291D+01 -0.155278D+02  0.654006D+01 -0.835272D+01  0.270488D+02
      3  -0.285551D+01  0.692299D+01 -0.272790D+01  0.328173D+01 -0.107455D+02
      4  -0.147537D+02  0.856341D+01 -0.615730D+01  0.646983D+01 -0.487967D+01
      5   0.148298D+01 -0.442241D+00  0.145972D+01 -0.378826D+00  0.980636D+00
      6  -0.759596D+01  0.686281D+01 -0.755420D+01  0.459398D+01 -0.728953D+01
               141           142           143           144           145 
      1   0.463798D+01 -0.668052D+01  0.975965D+01 -0.880656D+01 -0.211570D+01
      2  -0.639190D+01  0.732642D+01 -0.137520D+02  0.975586D+01  0.857565D+01
      3   0.175392D+01 -0.645901D+00  0.399232D+01 -0.949301D+00 -0.645995D+01
      4   0.386876D+01 -0.869502D+01  0.610752D+01 -0.508310D+01  0.122527D+02
      5   0.429872D+00  0.174892D+01  0.518561D+00 -0.239018D+00  0.337140D+01
      6   0.830301D+01 -0.721230D+01  0.143295D+02 -0.154510D+02  0.573288D+01
               146           147           148           149           150 
      1  -0.254598D+01 -0.179066D+01 -0.421012D+01 -0.337052D+02 -0.116152D+02
      2   0.115333D+02  0.479453D+01  0.114558D+02  0.624608D+02  0.192137D+02
      3  -0.898730D+01 -0.300387D+01 -0.724566D+01 -0.287557D+02 -0.759842D+01
      4   0.196375D+02  0.673948D+01  0.134185D+02  0.268782D+02  0.972200D+01
      5   0.541517D+01  0.460513D+01  0.311506D+01  0.914909D+01  0.509977D+01
      6   0.809138D+01  0.457118D+01  0.732886D+01  0.272163D+02  0.170055D+02
               151           152           153           154           155 
      1  -0.329367D+01 -0.181263D+02 -0.126587D+02 -0.563944D+01 -0.865757D+01
      2   0.638350D+01  0.275764D+02  0.158681D+02  0.848742D+01  0.155856D+02
      3  -0.308983D+01 -0.945008D+01 -0.320936D+01 -0.284798D+01 -0.692804D+01
      4   0.702683D+01  0.161278D+02  0.924172D+01  0.146364D+02  0.855108D+01
      5   0.445217D+01  0.831352D+01  0.699752D+01 -0.143540D+01 -0.415574D+00
      6   0.613580D+01  0.265784D+02  0.200220D+02 -0.753157D+01 -0.686337D+01
               156           157           158           159           160 
      1   0.383765D+01 -0.510391D+01 -0.164717D+02  0.468727D+01  0.670853D+01
      2  -0.657233D+01  0.837266D+01  0.273273D+02 -0.647181D+01 -0.735740D+01
      3   0.273468D+01 -0.326875D+01 -0.108556D+02  0.178454D+01  0.648876D+00
      4  -0.608249D+01  0.648600D+01  0.480048D+01 -0.385061D+01 -0.859727D+01
      5   0.142640D+01 -0.358940D+00 -0.948882D+00 -0.465256D+00  0.171579D+01
      6   0.750029D+01 -0.459667D+01 -0.734937D+01  0.834938D+01  0.713362D+01
               161           162           163           164           165 
      1   0.985388D+01 -0.883549D+01 -0.204200D+01  0.252377D+01  0.179361D+01
      2  -0.138872D+02  0.982464D+01  0.855531D+01 -0.115863D+02 -0.483721D+01
      3   0.403337D+01 -0.989159D+00 -0.651331D+01  0.906252D+01  0.304359D+01
      4  -0.605455D+01  0.498656D+01 -0.124488D+02  0.197560D+02  0.684156D+01
      5  -0.574473D+00  0.300604D+00 -0.345434D+01  0.549868D+01  0.467311D+01
      6   0.143671D+02 -0.153983D+02  0.581599D+01 -0.820063D+01 -0.466630D+01
               166           167           168           169           170 
      1   0.422010D+01 -0.333487D+02 -0.115386D+02  0.331831D+01 -0.180053D+02
      2  -0.115281D+02  0.618939D+02  0.191087D+02 -0.644649D+01  0.274200D+02
      3   0.730800D+01 -0.285453D+02 -0.757014D+01  0.312817D+01 -0.941477D+01
      4   0.135231D+02 -0.270544D+02 -0.983785D+01  0.716257D+01 -0.163205D+02
      5   0.318127D+01 -0.923928D+01 -0.516613D+01  0.453487D+01 -0.843568D+01
      6  -0.742724D+01  0.271498D+02  0.170092D+02 -0.626778D+01  0.265880D+02
               171           172           173           174           175 
      1  -0.126189D+02  0.324232D+02  0.237819D+01 -0.106321D+02  0.855816D+01
      2   0.158005D+02 -0.184594D+02 -0.514505D+01  0.745991D+01 -0.753579D+01
      3  -0.318168D+01 -0.139638D+02  0.276685D+01  0.317219D+01 -0.102237D+01
      4  -0.940041D+01 -0.163963D+02  0.733213D+01  0.321670D+01  0.377385D+01
      5  -0.712283D+01 -0.107688D+02 -0.178822D+01  0.949497D+01 -0.340430D+01
      6   0.201045D+02  0.509033D+01  0.744686D+00 -0.535011D+01  0.165813D+01
               176           177           178           179           180 
      1   0.643573D+01 -0.431714D+01 -0.173413D+02 -0.314273D+01  0.955093D+01
      2  -0.585712D+01  0.275813D+01  0.128808D+02  0.465177D+01 -0.797958D+01
      3  -0.578613D+00  0.155901D+01  0.446050D+01 -0.150904D+01 -0.157135D+01
      4   0.358425D+00 -0.220890D+00  0.737646D+01 -0.217786D+01 -0.570502D+01
      5  -0.253353D+01  0.233960D+01  0.136682D+02 -0.863355D-01 -0.125520D+02
      6   0.656339D+00  0.269861D+00 -0.786370D+01  0.193915D+01  0.782669D+01
               181           182           183           184           185 
      1   0.149436D+02 -0.721618D+01  0.394614D+01 -0.236680D+01 -0.612165D+01
      2   0.661552D-01 -0.463869D+01  0.903780D+00 -0.112137D+02  0.239456D+02
      3  -0.150097D+02  0.118549D+02 -0.484992D+01  0.135805D+02 -0.178240D+02
      4  -0.299858D+02  0.242569D+02 -0.129652D+02  0.266261D+02 -0.334962D+02
      5   0.116625D+02 -0.965628D+01  0.101921D+02 -0.909710D+01  0.116471D+02
      6  -0.113751D+02  0.971699D+01 -0.845744D+01  0.122159D+02 -0.172580D+02
               186           187           188           189           190 
      1   0.130103D+01  0.248454D+01  0.137548D+01  0.153207D+00  0.205896D+02
      2  -0.753883D+01  0.354792D+01 -0.834127D+01  0.242257D+01 -0.168927D+02
      3   0.623780D+01 -0.603246D+01  0.696578D+01 -0.257578D+01 -0.369682D+01
      4   0.149591D+02 -0.204830D+02  0.209022D+02 -0.176053D+02  0.141366D+01
      5  -0.796605D+01  0.153451D+02 -0.126552D+02  0.150089D+02  0.159369D+02
      6   0.126644D+02 -0.150159D+02  0.171713D+02 -0.175063D+02  0.759647D+00
               191           192           193           194           195 
      1   0.533930D+01  0.801163D+01  0.817040D+01  0.560644D+01  0.395388D+01
      2  -0.703054D+01 -0.969668D+01 -0.907904D+01 -0.625051D+01 -0.639614D+01
      3   0.169124D+01  0.168506D+01  0.908639D+00  0.644072D+00  0.244226D+01
      4   0.656503D+01  0.158697D+01  0.130173D+01  0.748535D+01  0.616545D+00
      5   0.439399D+01  0.108452D+02  0.110948D+02  0.295339D+01  0.771153D+01
      6   0.128328D+01 -0.599173D+00  0.105983D+01  0.266763D+01  0.508224D+00
               196           197           198           199           200 
      1   0.344076D+01  0.128015D+01  0.210366D+01 -0.257389D+01 -0.241768D+01
      2  -0.691976D+01 -0.211732D+01 -0.810757D+01 -0.163454D+01  0.138777D+01
      3   0.347899D+01  0.837170D+00  0.600391D+01  0.420844D+01  0.102991D+01
      4   0.299754D+01  0.382307D+00  0.210210D+01  0.628757D+01 -0.285044D+01
      5   0.804667D+01  0.367487D+01  0.889843D+01 -0.244804D+01  0.215266D+01
      6   0.396652D+00  0.143514D+01 -0.652832D+00 -0.109305D-01 -0.329817D+01
               201           202           203           204           205 
      1   0.726229D+01 -0.452689D+00 -0.512392D+01  0.635454D+01  0.245503D+01
      2   0.112482D+01 -0.446616D+00  0.201288D+01 -0.919013D+00 -0.145273D+01
      3  -0.838711D+01  0.899304D+00  0.311104D+01 -0.543553D+01 -0.100230D+01
      4   0.368481D+00  0.143915D+01 -0.172670D+01  0.503608D+00 -0.319828D+01
      5  -0.221615D+00  0.306218D+00  0.105259D+01 -0.189459D+01  0.442856D+01
      6   0.590028D+01 -0.430834D+00 -0.598371D+01  0.886318D+01 -0.494378D+00
               206           207           208           209           210 
      1   0.558602D+01 -0.183941D+02 -0.252838D+00 -0.768583D+01 -0.456743D+01
      2  -0.249789D-01 -0.114756D+02 -0.178698D+00  0.968681D+01  0.201693D+01
      3  -0.556104D+01  0.298697D+02  0.431536D+00 -0.200098D+01  0.255049D+01
      4   0.313005D+01  0.536795D+00  0.176778D+02  0.779756D+01  0.839252D+01
      5  -0.233442D+01  0.113823D+02  0.913244D+01  0.577465D+01  0.574165D+01
      6   0.740551D+01 -0.176302D+02  0.957543D+01  0.112362D+02  0.102248D+02
               211           212           213           214           215 
      1  -0.210594D+01 -0.313174D+01 -0.185661D+01 -0.164105D+01 -0.143932D+01
      2   0.291700D+01  0.684593D+01  0.152728D+01 -0.743020D+00 -0.132616D+01
      3  -0.811060D+00 -0.371420D+01  0.329330D+00  0.238407D+01  0.276548D+01
      4   0.800196D+01  0.769741D+01  0.502900D+01  0.438775D+01  0.413093D+01
      5   0.292987D+01  0.323445D+01  0.230280D+01  0.466613D+01  0.224871D+01
      6   0.553002D+01  0.512997D+01  0.544607D+01  0.556302D+01  0.502446D+01
               216           217           218           219           220 
      1  -0.405091D+01 -0.513567D+00  0.331641D+01  0.243716D+01  0.285235D+00
      2  -0.188948D+01 -0.368926D+01 -0.413275D+01  0.631438D+01 -0.132656D+01
      3   0.594039D+01  0.420283D+01  0.816338D+00 -0.875155D+01  0.104132D+01
      4   0.554096D+01 -0.355158D+01  0.438497D+01  0.450214D+01  0.487043D+00
      5   0.371239D+01 -0.489612D+01  0.186960D+01  0.847980D+01  0.284352D+00
      6   0.844342D+01  0.440190D+01 -0.312015D+01 -0.711680D+01 -0.575173D-01
               221           222           223           224           225 
      1   0.289498D+01  0.165398D+01  0.183289D+01 -0.495707D+01 -0.120017D+02
      2  -0.605752D+01  0.234869D+01  0.357997D+01  0.291758D+01 -0.163928D+02
      3   0.316254D+01 -0.400267D+01 -0.541286D+01  0.203948D+01  0.283946D+02
      4   0.212134D+01  0.756629D+00  0.358062D+01 -0.203214D+01 -0.288622D+01
      5  -0.134213D+01  0.954015D+00  0.561211D+01 -0.122532D+01 -0.996018D+01
      6  -0.203856D+01  0.711943D+00 -0.325570D+01  0.650633D+01  0.189191D+02
               226           227           228           229           230 
      1  -0.940290D+00 -0.412651D+00 -0.131883D+01 -0.573128D+01 -0.116472D+02
      2   0.436412D+01 -0.238054D+01  0.172040D+01  0.142678D+01  0.211513D+02
      3  -0.342383D+01  0.279319D+01 -0.401569D+00  0.430449D+01 -0.950403D+01
      4  -0.323440D+01  0.529624D+01  0.145748D+00  0.858099D+01 -0.213342D+02
      5  -0.152798D+01 -0.309230D+00  0.182370D-01 -0.494634D+01  0.280696D+01
      6   0.218122D+00  0.462784D+00 -0.219263D+00  0.388434D+01 -0.123036D+02
               231           232           233           234           235 
      1   0.158765D+01 -0.536021D+01  0.219019D+01 -0.422370D+01 -0.265443D+01
      2  -0.246896D+00  0.362101D+01  0.906647D+00  0.232756D+01 -0.156444D+00
      3  -0.134075D+01  0.173920D+01 -0.309683D+01  0.189614D+01  0.281088D+01
      4   0.443366D+01  0.172711D+01 -0.221769D+01 -0.205318D+01  0.940579D+00
      5  -0.465022D+01 -0.125368D+01 -0.188210D+01  0.718245D-01  0.140253D+00
      6   0.549593D+01 -0.174477D-01  0.274455D+01 -0.200473D+01  0.127040D+01
               236           237           238           239           240 
      1   0.932324D+00  0.359822D+01  0.371845D+01 -0.351994D+01  0.105827D+01
      2  -0.174187D+01  0.107696D+01 -0.380688D+01  0.723355D+00 -0.329199D+01
      3   0.809547D+00 -0.467518D+01  0.884299D-01  0.279659D+01  0.223372D+01
      4  -0.555152D+00  0.165876D+00  0.826962D+00 -0.876277D+00  0.235906D+01
      5   0.121988D+01  0.187660D+01  0.180069D+01  0.154867D+01  0.173258D+01
      6  -0.794288D+00  0.184734D+01  0.917590D-01 -0.198599D+01  0.466158D+01
               241           242           243           244           245 
      1   0.396664D+01  0.393198D+01 -0.209261D+02 -0.186041D+00  0.764631D+01
      2  -0.606006D+01  0.914819D+00 -0.163035D+02 -0.245766D+00 -0.966446D+01
      3   0.209342D+01 -0.484680D+01  0.372295D+02  0.431808D+00  0.201815D+01
      4  -0.152916D+01  0.343315D+01 -0.267755D+01 -0.177401D+02  0.783065D+01
      5   0.687052D+01 -0.405296D+01  0.219689D+02 -0.919289D+01  0.579847D+01
      6  -0.152969D+01  0.541739D+01 -0.102224D+02  0.962063D+01 -0.112108D+02
               246           247           248           249           250 
      1   0.452654D+01  0.206584D+01 -0.304816D+01 -0.181097D+01  0.162812D+01
      2  -0.197063D+01 -0.289172D+01  0.674618D+01  0.148515D+01  0.770107D+00
      3  -0.255591D+01  0.825879D+00 -0.369802D+01  0.325819D+00 -0.239823D+01
      4   0.844921D+01  0.798071D+01 -0.768429D+01 -0.501733D+01  0.441652D+01
      5   0.579538D+01  0.292834D+01 -0.322369D+01 -0.229969D+01  0.469808D+01
      6  -0.102392D+02 -0.550944D+01  0.506231D+01  0.541377D+01 -0.557364D+01
               251           252           253           254           255 
      1  -0.141514D+01 -0.402635D+01 -0.525655D+00 -0.336745D+01 -0.247956D+01
      2  -0.135122D+01 -0.192143D+01 -0.368761D+01  0.417358D+01 -0.629980D+01
      3   0.276636D+01  0.594777D+01  0.421327D+01 -0.806131D+00  0.877936D+01
      4  -0.412049D+01 -0.555401D+01  0.356282D+01  0.439114D+01  0.453719D+01
      5  -0.225224D+01 -0.374619D+01  0.489319D+01  0.188217D+01  0.847982D+01
      6   0.501666D+01  0.845513D+01  0.442600D+01  0.316103D+01  0.717946D+01
               256           257           258           259           260 
      1  -0.305585D+00  0.289608D+01  0.163578D+01 -0.184411D+01 -0.499166D+01
      2   0.134326D+01 -0.604478D+01  0.230846D+01 -0.357799D+01  0.291053D+01
      3  -0.103768D+01  0.314870D+01 -0.394423D+01  0.542210D+01  0.208113D+01
      4   0.509920D+00 -0.205902D+01 -0.737662D+00  0.359472D+01  0.202605D+01
      5   0.297731D+00  0.135979D+01 -0.921295D+00  0.560703D+01  0.123485D+01
      6   0.869762D-01 -0.199959D+01  0.751503D+00  0.327339D+01  0.654870D+01
               261           262           263           264           265 
      1  -0.120216D+02  0.207252D+02 -0.536628D+01 -0.802436D+01 -0.817145D+01
      2  -0.163397D+02 -0.169701D+02  0.704915D+01  0.968700D+01  0.905350D+01
      3   0.283613D+02 -0.375506D+01 -0.168287D+01 -0.166264D+01 -0.882053D+00
      4   0.293078D+01 -0.134302D+01  0.656784D+01  0.152907D+01  0.128289D+01
      5   0.991880D+01 -0.159540D+02  0.434995D+01  0.108136D+02  0.110376D+02
      6   0.189959D+02  0.726534D+00 -0.128058D+01  0.626615D+00 -0.103663D+01
               266           267           268           269           270 
      1   0.562831D+01  0.393043D+01 -0.344082D+01  0.126700D+01  0.211622D+01
      2  -0.623140D+01 -0.633504D+01  0.689484D+01 -0.207493D+01 -0.806207D+01
      3   0.603094D+00  0.240460D+01 -0.345402D+01  0.807931D+00  0.594585D+01
      4  -0.743664D+01 -0.566361D+00  0.297705D+01 -0.343581D+00 -0.206953D+01
      5  -0.289353D+01 -0.763995D+01  0.800574D+01 -0.364372D+01 -0.882059D+01
      6   0.264747D+01  0.475151D+00 -0.381646D+00  0.141180D+01 -0.667111D+00
               271           272           273           274           275 
      1  -0.252571D+01  0.241277D+01 -0.725697D+01  0.435069D+00 -0.509039D+01
      2  -0.168449D+01 -0.141243D+01 -0.112615D+01  0.443817D+00  0.199071D+01
      3   0.421020D+01 -0.100034D+01  0.838312D+01 -0.878886D+00  0.309969D+01
      4  -0.627391D+01 -0.286183D+01  0.354889D+00  0.140463D+01  0.169565D+01
      5   0.242623D+01  0.215714D+01 -0.207127D+00  0.322738D+00 -0.102950D+01
      6   0.297150D-03  0.329526D+01 -0.588907D+01  0.437223D+00 -0.593285D+01
               276           277           278           279           280 
      1   0.629171D+01 -0.243565D+01  0.556063D+01 -0.183902D+02  0.660947D+01
      2  -0.919689D+00  0.144844D+01 -0.396003D-01 -0.115574D+02 -0.345211D+01
      3  -0.537202D+01  0.987210D+00 -0.552103D+01  0.299476D+02 -0.315736D+01
      4  -0.490055D+00 -0.321060D+01 -0.314633D+01 -0.551395D+00  0.470195D+01
      5   0.186208D+01  0.444246D+01  0.233275D+01 -0.114081D+02  0.815896D+01
      6   0.880655D+01  0.514293D+00  0.738255D+01 -0.176355D+02  0.219512D+01
               281           282           283           284           285 
      1   0.368334D+01  0.683333D+01  0.752934D+01 -0.553927D+00 -0.200064D+01
      2  -0.138413D+01 -0.373356D+01 -0.379870D+01  0.360354D+01 -0.224623D+00
      3  -0.229920D+01 -0.309977D+01 -0.373064D+01 -0.304962D+01  0.222526D+01
      4   0.521470D+01  0.195354D+01  0.117581D+02  0.246620D+02  0.126652D+02
      5   0.254107D+01  0.513820D+01  0.637976D+01  0.134395D+02  0.145463D+02
      6   0.775014D+00  0.729681D+00  0.440855D+01  0.120373D+02  0.830828D+01
               286           287           288           289           290 
      1   0.799930D+01 -0.189092D+01 -0.719387D+00  0.679809D+02 -0.171237D+02
      2  -0.608488D+01 -0.106625D+01 -0.384631D+01 -0.375787D+02  0.839969D+01
      3  -0.191443D+01  0.295717D+01  0.456570D+01 -0.304022D+02  0.872399D+01
      4   0.358764D+01  0.888418D+01  0.900994D+01 -0.219356D+02  0.131957D+02
      5   0.877726D+01  0.943913D+01  0.136838D+02  0.283408D+02 -0.753894D+01
      6   0.239047D+01  0.750482D+01  0.696796D+01 -0.481453D+01  0.298958D+01
               291           292           293           294           295 
      1   0.179318D+02 -0.273220D+02  0.135123D+02 -0.757182D+01  0.157203D+02
      2  -0.113966D+02  0.137651D+02 -0.583526D+01  0.496182D+01 -0.122898D+02
      3  -0.653516D+01  0.135569D+02 -0.767708D+01  0.260999D+01 -0.343051D+01
      4  -0.645015D+01  0.210235D+02 -0.136736D+02  0.912182D+01 -0.605873D+01
      5   0.171125D+02 -0.129396D+02  0.101005D+02 -0.764877D+01  0.218406D+02
      6  -0.189330D+01  0.573600D+01 -0.349190D+01  0.431026D+01 -0.326076D+01
               296           297           298           299           300 
      1  -0.393595D+01  0.122685D+02  0.677198D+02  0.172706D+02 -0.178034D+02
      2   0.358688D+01 -0.990678D+01 -0.373215D+02 -0.842838D+01  0.112784D+02
      3   0.349071D+00 -0.236175D+01 -0.303982D+02 -0.884221D+01  0.652496D+01
      4   0.587773D+01 -0.577768D+01  0.222571D+02  0.133585D+02 -0.650677D+01
      5  -0.621690D+01  0.134257D+02 -0.281377D+02 -0.757096D+01  0.170038D+02
      6   0.375572D+01 -0.284141D+01 -0.487000D+01 -0.301579D+01  0.193055D+01
               301           302           303           304           305 
      1   0.274596D+02  0.136252D+02 -0.755920D+01 -0.155987D+02 -0.393181D+01
      2  -0.137544D+02 -0.582108D+01  0.492301D+01  0.121670D+02  0.357226D+01
      3  -0.137052D+02 -0.780412D+01  0.263619D+01  0.343172D+01  0.359551D+00
      4   0.212652D+02  0.139159D+02 -0.917689D+01 -0.611933D+01 -0.591507D+01
      5  -0.129535D+02 -0.101430D+02  0.767670D+01  0.217309D+02  0.627040D+01
      6  -0.577668D+01 -0.355398D+01  0.432940D+01  0.332035D+01  0.378233D+01
               306           307           308           309           310 
      1   0.121967D+02  0.677423D+01 -0.371262D+01 -0.685068D+01 -0.762588D+01
      2  -0.981546D+01 -0.354730D+01  0.140635D+01  0.375634D+01  0.386781D+01
      3  -0.238129D+01 -0.322693D+01  0.230627D+01  0.309434D+01  0.375807D+01
      4   0.585285D+01 -0.476419D+01  0.531365D+01  0.198417D+01  0.118619D+02
      5  -0.133210D+02 -0.822837D+01  0.258623D+01  0.521124D+01  0.645442D+01
      6  -0.287960D+01  0.218881D+01 -0.817155D+00 -0.754087D+00 -0.444193D+01
               311           312           313           314           315 
      1  -0.330124D+00 -0.187661D+01 -0.803196D+01 -0.181560D+01 -0.620097D+00
      2   0.341165D+01 -0.319603D+00  0.612000D+01 -0.112256D+01 -0.391216D+01
      3  -0.308153D+01  0.219621D+01  0.191196D+01  0.293816D+01  0.453225D+01
      4  -0.246554D+02 -0.126722D+02  0.359411D+01 -0.888464D+01 -0.900956D+01
      5  -0.134628D+02 -0.145698D+02  0.883956D+01 -0.944617D+01 -0.137114D+02
      6   0.119450D+02  0.823369D+01 -0.240397D+01  0.745226D+01  0.690500D+01
               316           317           318           319           320 
      1  -0.261264D+01 -0.936793D+00 -0.358317D+01 -0.373568D+01 -0.353251D+01
      2  -0.191423D+00  0.173314D+01 -0.105524D+01  0.382818D+01  0.740993D+00
      3   0.280406D+01 -0.796349D+00  0.463842D+01 -0.925007D-01  0.279152D+01
      4  -0.950794D+00 -0.570964D+00  0.166175D+00  0.792056D+00  0.846842D+00
      5  -0.167192D+00  0.122025D+01  0.190719D+01  0.182227D+01 -0.153141D+01
      6   0.127729D+01  0.799154D+00 -0.184070D+01 -0.754375D-01 -0.196237D+01
               321           322           323           324           325 
      1   0.102307D+01 -0.395456D+01  0.389647D+01 -0.209141D+02 -0.100570D+01
      2  -0.333174D+01  0.606346D+01  0.900956D+00 -0.163278D+02  0.439286D+01
      3   0.230867D+01 -0.210890D+01 -0.479743D+01  0.372419D+02 -0.338716D+01
      4  -0.234579D+01 -0.154978D+01 -0.342830D+01  0.264063D+01  0.315261D+01
      5  -0.178784D+01  0.687921D+01  0.403515D+01 -0.219978D+02  0.154604D+01
      6   0.463415D+01  0.153772D+01  0.541199D+01 -0.102285D+02  0.236086D+00
               326           327           328           329           330 
      1   0.418063D+00  0.131101D+01  0.572214D+01 -0.118006D+02  0.164722D+01
      2   0.234224D+01 -0.171966D+01 -0.143970D+01  0.212894D+02 -0.313290D+00
      3  -0.276030D+01  0.408649D+00 -0.428245D+01 -0.948882D+01 -0.133394D+01
      4   0.520436D+01  0.168832D+00  0.854133D+01  0.212822D+02 -0.446203D+01
      5  -0.297153D+00  0.586424D-02 -0.493343D+01 -0.282275D+01  0.464385D+01
      6  -0.415135D+00  0.196811D+00 -0.386920D+01 -0.123862D+02  0.554337D+01
               331           332           333 
      1   0.533618D+01  0.221177D+01 -0.424390D+01
      2  -0.361058D+01  0.881143D+00  0.233183D+01
      3  -0.172560D+01 -0.309292D+01  0.191207D+01
      4   0.174275D+01  0.219294D+01  0.203383D+01
      5  -0.124520D+01  0.187108D+01 -0.894063D-01
      6   0.489233D-02  0.277078D+01 -0.202379D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.890861D-02      0.226434D-01      0.755303D-01
   y         -0.800529D-04     -0.203474D-03     -0.678716D-03
   z          0.100325D-03      0.255002D-03      0.850594D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.150517D+03      0.223043D+02      0.248169D+02
   yx        -0.754235D-03     -0.111766D-03     -0.124356D-03
   yy         0.149050D+03      0.220869D+02      0.245749D+02
   zx        -0.156812D-02     -0.232371D-03     -0.258547D-03
   zy         0.598749D-01      0.887254D-02      0.987204D-02
   zz         0.118804D+03      0.176049D+02      0.195881D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146596D+03      0.217232D+02      0.241703D+02
   aniso      0.337848D+02      0.500639D+01      0.557036D+01
   xx         0.158605D+03      0.235028D+02      0.261504D+02
   yx        -0.963391D-03     -0.142760D-03     -0.158842D-03
   yy         0.157093D+03      0.232787D+02      0.259011D+02
   zx        -0.181168D-02     -0.268463D-03     -0.298705D-03
   zy         0.448344D-01      0.664377D-02      0.739219D-02
   zz         0.124089D+03      0.183881D+02      0.204596D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.35877401          0.08788376         -5.46357659
     6         -1.47772948         -0.20504003         -5.43126830
     7         -2.22504686         -1.46968958         -2.99423412
    45         -0.00105609          0.00023177          0.00035199
     7          2.20894566          1.85361184          2.78749118
     6          0.79117946          4.11834554          3.76473204
     6         -0.51397037          5.38451931          1.56710704
     7         -2.06317300          3.43142715          0.19865746
     7          2.15504566          1.40731295         -3.07171072
     7         -2.14754557         -1.79726140          2.87209759
     6         -0.70366314         -4.03716438          3.86818416
     6          0.55530996         -5.35005810          1.67094759
     7          2.06794465         -3.42522795          0.22379728
     1         -0.56962142          3.46273310          5.16672248
     1          2.07807240          5.41565759          4.71751425
     1          0.85420626          6.16372377          0.23694819
     1         -1.71000739          6.93822435          2.20158996
     1         -0.84015191         -6.16267229          0.39010479
     1          1.76970047         -6.88606436          2.31358653
     1          0.68620151         -3.34809181          5.22484570
     1         -1.96639072         -5.31486827          4.87808581
     1         -2.63270866         -0.66650490          4.35461399
     1         -3.83078621         -2.41895327          2.16705436
     1          2.58068600         -4.17877258         -1.47373911
     1          3.73901844         -3.13819974          1.14137995
     1          1.90604036          3.30388580         -3.30529757
     1          4.05778902          1.19081705         -2.85282106
     1         -2.61559017          4.14870027         -1.50213843
     1         -3.71200974          3.16656617          1.16195061
     1          2.72192455          0.75388310          4.28384604
     1          3.87879014          2.45546235          2.03487456
     1          2.30263937         -1.74285178         -5.52284904
     1          1.98195758          1.15296126         -7.11404937
     1         -2.13438159         -1.30725914         -7.04394006
     1         -2.42298038          1.62414666         -5.51292244
     1         -4.12217698         -1.24341948         -2.73943298
     1         -1.98530439         -3.37165720         -3.19119244

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.890953D-02      0.226458D-01      0.755381D-01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.118809D+03      0.176058D+02      0.195890D+02
   yx         0.212024D+00      0.314186D-01      0.349580D-01
   yy         0.149048D+03      0.220867D+02      0.245747D+02
   zx         0.359287D+00      0.532409D-01      0.592385D-01
   zy         0.987699D-02      0.146362D-02      0.162849D-02
   zz         0.150513D+03      0.223037D+02      0.248162D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146596D+03      0.217232D+02      0.241703D+02
   aniso      0.337848D+02      0.500639D+01      0.557036D+01
   xx         0.124096D+03      0.183891D+02      0.204606D+02
   yx         0.251841D+00      0.373189D-01      0.415229D-01
   yy         0.157091D+03      0.232785D+02      0.259008D+02
   zx         0.390950D+00      0.579328D-01      0.644589D-01
   zy         0.961549D-02      0.142487D-02      0.158538D-02
   zz         0.158600D+03      0.235021D+02      0.261497D+02

 ----------------------------------------------------------------------
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 FORGIVE MY NONSENSE AS I ALSO FORGIVE THOSE WHO THINK THEY TALK SENSE

                                                       -- ROBERT FROST
 Job cpu time:       1 days  9 hours 51 minutes 19.7 seconds.
 Elapsed time:       0 days  4 hours 14 minutes 32.4 seconds.
 File lengths (MBytes):  RWF=   1267 Int=      0 D2E=      0 Chk=     39 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 00:49:05 2021.
